Valeric acid supplier | CasNO.109-52-4

Name
Valeric acid
EINECS 203-677-2
CAS No. 109-52-4
Article Data582
CAS DataBase
Density 0.966 g/cm³
Solubility 40 g/L (20 ºC)
Melting Point -20 - -18 °C(lit.)
Formula C₅H₁₀O₂
Boiling Point 185.3 °C at 760 mmHg
Molecular Weight 102.133
Flash Point 80.5 °C
Transport Information UN 3265 8/PG 3
Appearance clear colorless to pale yellow liquid
Safety 26-36-45-61
Risk Codes 34-52/53
Molecular Structure
Hazard Symbols C
Synonyms Valericacid (8CI);1-Butanecarboxylic acid;NSC 406833;Propylacetic acid;n-Pentanoicacid;n-Valeric acid;Pentanoic acid;
PSA 37.30000
LogP 1.26120

Synthetic route

: 71-41-0
pentan-1-ol

: 109-52-4
valeric acid

Conditions

Conditions	Yield
With dihydrogen peroxide; Na12[WZn3(H2O)2(ZnW9O34)2] at 75℃; for 7h;	100%
With Au NCs/TiO2; oxygen; sodium hydroxide In water at 120℃; under 7500.75 Torr; for 6h; Catalytic behavior; Autoclave; Green chemistry;	95.3%
With nitric acid In water at 25 - 30℃; for 4h;	90%

: 123-76-2
levulinic acid

: 109-52-4
valeric acid

Conditions

Conditions	Yield
With hydrogen In water at 150℃; under 22502.3 Torr; for 4h; Reagent/catalyst; Temperature; Pressure; Time; Solvent; Green chemistry;	99.8%
With hydrogen In propan-1-ol at 240℃; under 22502.3 Torr; for 3h; Temperature; Reagent/catalyst; Time; Solvent;	98%
in saurer Loesung.Electrolysis;

: 110-94-1
1,5-pentanedioic acid

A: 111-29-5
1 ,5-pentanediol

B: 71-41-0
pentan-1-ol

C: 109-52-4
valeric acid

Conditions

Conditions	Yield
With hydrogen In water at 130℃; under 37503.8 Torr; for 12h; Pressure; Reagent/catalyst; Autoclave;	A 90% B 4% C 5%

...Expand

: 542-28-9
3,4,5,6-tetrahydro-2H-pyran-2-one

: 109-52-4
valeric acid

Conditions

Conditions	Yield
In N,N,N,N,N,N-hexamethylphosphoric triamide; water for 17h; Irradiation;	60%
With palladium 10% on activated carbon; W(OTf)6; hydrogen at 135℃; under 760.051 Torr; for 12h;	44%
With water; iodine; nickel at 280℃; under 88260.9 - 183877 Torr; Hydrogenation;
With palladium on activated carbon; W(OTf)6; hydrogen In neat (no solvent) at 135℃; under 760.051 Torr; for 12h;	44 %Chromat.

: 123-76-2
levulinic acid

A: 108-29-2
5-methyl-dihydro-furan-2-one

B: 109-52-4
valeric acid

Conditions

Conditions	Yield
With hydrogen In 1,4-dioxane at 199.84℃; under 30003 Torr; for 10h; Reagent/catalyst; Autoclave;	A 91.6% B n/a
With hydrogen In 1,4-dioxane at 199.84℃; under 30003 Torr; for 10h; Autoclave; Inert atmosphere;	A n/a B 17.7%
With hydrogen In 1,4-dioxane at 199.84℃; under 30003 Torr; for 10h; Reagent/catalyst; Autoclave;	A 7.7% B n/a

: 7433-56-9
(E)-5-decene

: 109-52-4
valeric acid

Conditions

Conditions	Yield
With sodium periodate; ruthenium trichloride In tetrachloromethane; water; acetonitrile at 25℃; for 2h;	88%
With sodium periodate; ruthenium trichloride In water; ethyl acetate; acetonitrile for 2h;	76%
With sodium periodate; RuCl3*2.9H2O In water at 20℃; for 0.25h; Sonication;	74%
With periodic acid; ruthenium trichloride In tetrachloromethane; water; acetonitrile at 20℃; for 2h; Oxidation;	60%
With dihydrogen peroxide; methyltrioctylammonium tetrakis(oxodiperoxotungsto)phos In water at 85℃; for 6h; Yield given;

: 109-69-3
n-Butyl chloride

: 109-52-4
valeric acid

Conditions

Conditions	Yield
Stage #1: n-Butyl chloride With magnesium In tetrahydrofuran for 2h; Inert atmosphere; Reflux; Stage #2: With potassium hydrogensulfate; carbon monoxide In tetrahydrofuran at 20℃; for 1h;	85%

: 108-29-2
5-methyl-dihydro-furan-2-one

: 109-52-4
valeric acid

Conditions

Conditions	Yield
With palladium 10% on activated carbon; hydrogen; zirconium(IV) triflate at 135℃; under 760.051 Torr; for 12h; Reagent/catalyst; Temperature; Pressure;	99%
With hafnium tetrakis(trifluoromethanesulfonate); palladium on activated carbon; hydrogen In neat (no solvent) at 135℃; under 760.051 Torr; for 12h; Schlenk technique; Glovebox;	99%
With palladium on activated carbon; W(OTf)6; hydrogen In neat (no solvent) at 135℃; under 760.051 Torr; for 12h; Reagent/catalyst;	97%

: 124-04-9
Adipic acid

A: 502-44-3
hexahydro-2H-oxepin-2-one

B: 629-11-8
1,6-hexanediol

C: 109-52-4
valeric acid

Conditions

Conditions	Yield
With hydrogen In 1,4-dioxane at 265℃; under 18751.9 Torr;

...Expand

: 87-99-0
XYLITOL

: 109-52-4
valeric acid

Conditions

Conditions	Yield
With formaldehyd; ruthenium (III) bromide; hydrogen bromide; hydrogen; tetrabutyl phosphonium bromide In water at 210℃; under 30003 Torr;	17%

: 110-62-3
pentanal

: 109-52-4
valeric acid

Conditions

Conditions	Yield
With C4H11FeMo6NO24(3-)*3C16H36N(1+); water; oxygen; sodium carbonate at 50℃; under 760.051 Torr; for 8h; Green chemistry;	99%
With dihydrogen peroxide In acetic acid at 90℃; for 7h;	98%
With 4H3N4H(1+)CuMo6O18(OH)6(4-); water; oxygen; sodium carbonate at 50℃; under 760.051 Torr; for 12h;	98%

: 71-41-0
pentan-1-ol

A: 110-62-3
pentanal

B: 109-52-4
valeric acid

Conditions

Conditions	Yield
With 2,2,6,6-tetramethyl-piperidine-N-oxyl; sodium acetate; 4,7-di-(NaSO3Ph)-[1.10]phenanthroline-Pd(OAc)2 In water at 100℃; under 22502.3 Torr; for 15h; pH=6.5 - 11.5;	A 90% B n/a
With 2O34W9Zn(12-)W(6+)3Zn(2+)*2H2O; dihydrogen peroxide In water; acetonitrile at 135℃; under 2250.23 Torr; for 0.25h; Microwave irradiation;	A n/a B 75%
With [γ-W10SiO36(PhPO)2][TBA]4; dihydrogen peroxide In acetonitrile at 90 - 120℃; for 0.833333h; microwave irradiation;	A 59% B n/a

: 110-62-3
pentanal

: 590-86-3
isovaleraldehyde

A: 503-74-2
3-methylbutyric acid

B: 109-52-4
valeric acid

Conditions

Conditions	Yield
With oxygen; chromium; valerianate de potassium In water at 50℃; for 2.5h; Product distribution / selectivity;	A n/a B 90.3%
With oxygen; valerianate de potassium; copper In water at 50℃; for 2.5h; Product distribution / selectivity;	A n/a B 88.3%
With oxygen; sodium valerate; iron In water at 50℃; for 2.5h; Product distribution / selectivity;	A n/a B 86.2%

...Expand

: 110-43-0
n-pentyl methyl ketone

A: 64-18-6
formic acid

B: 64-19-7
acetic acid

C: 802294-64-0
propionic acid

D: 142-62-1
hexanoic acid

E: 107-92-6
butyric acid

F: 109-52-4
valeric acid

Conditions

Conditions	Yield
With oxygen; copper(II) nitrate In acetonitrile at 120℃; under 4500.45 Torr; for 7h;	A 29% B 64% C 8% D 22% E 7% F 18%

...Expand

: 10374-51-3
5-hydroxymethyl-4,5-dihydrofuranone

: 109-52-4
valeric acid

Conditions

Conditions	Yield
With palladium 10% on activated carbon; W(OTf)6; hydrogen; acetic acid at 150℃; under 15001.5 Torr; for 12h;	45%

: 87-99-0
XYLITOL

A: 123-76-2
levulinic acid

B: 109-52-4
valeric acid

Conditions

Conditions	Yield
With formaldehyd; ruthenium (III) bromide; hydrogen bromide; hydrogen; tetrabutyl phosphonium bromide In water at 200℃; under 30003 Torr;	A 10% B 10%

: 81944-89-0
1,1,1-trifluorooctane-2,4-dione

: 109-52-4
valeric acid

Conditions

Conditions	Yield
With oxygen; sodium hydrogencarbonate In acetonitrile for 4h; Molecular sieve; Irradiation;	99%

: 107-87-9
2-Pentanone

: 109-52-4
valeric acid

Conditions

Conditions	Yield
With Citroflex-4; chromium(lll) acetate at 9 - 15℃; for 4.33333h; Temperature;	96%

: 693-02-7
hex-1-yne

: 109-52-4
valeric acid

Conditions

Conditions	Yield
With tert.-butylhydroperoxide; indium(III) chloride In water at 90℃; for 12h;	68%
With periodic acid; ruthenium trichloride In tetrachloromethane; water; acetonitrile at 20℃; for 2h; Oxidation;	60%
With tetrachloromethane; ozone at 0℃;

: 7433-78-5
cis-5-decene

: 109-52-4
valeric acid

Conditions

Conditions	Yield
With sodium periodate; ruthenium trichloride In tetrachloromethane; water; acetonitrile at 25℃; for 1h;	87%

: 50-70-4, 69-65-8, 87-78-5, 133-43-7, 488-44-8, 488-45-9, 608-66-2, 643-01-6, 643-03-8, 5552-13-6, 6706-59-8, 24557-79-7, 25878-23-3, 26566-34-7, 45007-61-2, 60660-56-2, 60660-57-3, 60660-58-4, 132747-27-4
sorbitol

A: 124-38-9
carbon dioxide

B: 64-19-7
acetic acid

C: 802294-64-0
propionic acid

D: 142-62-1
hexanoic acid

E: 107-92-6
butyric acid

F: 109-52-4
valeric acid

Conditions

Conditions	Yield
With prereduced 1 wtpercent Pt-Ir alloy particle covered with ReOx supported on silica In decane; water at 179.84℃; under 3750.38 Torr; for 24h; Inert atmosphere; Autoclave;

...Expand

caprolactam; 6-aminocaproic acid; 6-aminocaproic amide; nylon-6-oligomers; water; mixture of: caprolactam; 6-aminocaproic acid; 6-aminocaproic amide; nylon-6-oligomers; water; mixture of

A: 105-60-2
caprolactam

B: 626-97-1
pentamide

C: 1577-22-6
5-hexenoic acid

D: 142-62-1
hexanoic acid

E: 109-52-4
valeric acid

Conditions

Conditions	Yield
at 300℃; under 9000.9 Torr; for 5h;	A 99% B n/a C n/a D n/a E n/a
Stage #1: caprolactam; 6-aminocaproic acid; 6-aminocaproic amide; nylon-6-oligomers; water; mixture of at 220℃; under 5250.53 - 52505.3 Torr; for 0.5h; Stage #2: at 300℃; under 9000.9 - 90009 Torr; for 5h;	A 99% B n/a C n/a D n/a E n/a

...Expand

: 539-82-2
ethyl n-valerate

: 109-52-4
valeric acid

Conditions

Conditions	Yield
With potassium hydroxide In tetrahydrofuran; water; ethyl acetate	74%

: 6540-98-3, 27620-76-4
6-hydroxydecan-5-one

: 109-52-4
valeric acid

Conditions

Conditions	Yield
With oxygen; 2(μ-O) In dimethyl sulfoxide at 95℃; for 53h;	66%
With oxygen; bismuth mandelate In dimethyl sulfoxide at 80℃; for 4.5h;	66%

: 50-70-4, 69-65-8, 87-78-5, 133-43-7, 488-44-8, 488-45-9, 608-66-2, 643-01-6, 643-03-8, 5552-13-6, 6706-59-8, 24557-79-7, 25878-23-3, 26566-34-7, 45007-61-2, 60660-56-2, 60660-57-3, 60660-58-4, 132747-27-4
sorbitol

A: 591-78-6
n-hexan-2-one

B: 589-38-8
n-hexan-3-one

C: 124-38-9
carbon dioxide

D: 64-19-7
acetic acid

E: 802294-64-0
propionic acid

F: 142-62-1
hexanoic acid

G: 107-92-6
butyric acid

H: 109-52-4
valeric acid

Conditions

Conditions	Yield
With prereduced 5 wtpercent Pt-Ir alloy particle covered with ReOx supported on silica In decane; water at 179.84℃; under 3750.38 Torr; for 24h; Inert atmosphere; Autoclave;

...Expand

: 591-80-0
pent-4-enoic acid

: 109-52-4
valeric acid

Conditions

Conditions	Yield
With sodium hydroxide; Triethoxysilane; water; propargyl alcohol; palladium diacetate for 5.5h; Ambient temperature;	96%
With tetrakis[3,5-bis(trifluoromethyl)phenyl]boric acid bis(diethyl ether) complex; C32H63CoNP2Si; hydrogen In tetrahydrofuran at 60℃; under 760.051 Torr; for 24h;	82%

: 6540-98-3, 27620-76-4
6-hydroxydecan-5-one

A: 5579-73-7
decane-5,6-dione

B: 109-52-4
valeric acid

Conditions

Conditions	Yield
With 4 Angstroem MS; oxygen; tetrapropylammonium perruthennate In toluene Oxidation; Heating;	A 56% B 10%

: 864943-41-9
(Z)-2-(2-chlorophenyl)-3,4-diphenyldec-3-en-5-yn-2-ol

: 109-99-9
tetrahydrofuran

A: 4676-82-8
2-hydroperoxytetrahydrofuran

B: 5-(2-chlorophenyl)-5-methyl-3,4-diphenyl-5H-furan-2-one

C: 109-52-4
valeric acid

Conditions

Conditions	Yield
With oxygen; silver trifluoromethanesulfonate; (triphenylphosphine)gold(I) chloride at 50℃; for 3h;	A n/a B 82% C 21%

...Expand

: 110-59-8
pentanonitrile

: 109-52-4
valeric acid

Conditions

Conditions	Yield
enzyme from Synechocystis sp. PCC 6803 In phosphate buffer at 30℃; for 12h; pH=7.2;	99%
With benzene-1,2-dicarboxylic acid at 250℃; under 7600 Torr; for 0.5h; microwave irradiation;	98%
With benzene-1,2-dicarboxylic acid at 240℃; under 3040 Torr; for 1h;	91%

: 539-88-8
4-oxopentanoic acid ethyl ester

A: 539-82-2
ethyl n-valerate

B: 108-29-2
5-methyl-dihydro-furan-2-one

C: 109-52-4
valeric acid

Conditions

Conditions	Yield
With hydrogen; 10 wtpercent nickel/0.1 wtpercent platinum on silica Product distribution / selectivity;	A n/a B 77% C n/a
With hydrogen; 10 wtpercent rhenium/0.1 wtpercent platinum on silica Product distribution / selectivity;	A n/a B 68% C n/a
With hydrogen; 1 wtpercent ruthenium on silica Product distribution / selectivity;	A n/a B 54% C n/a

...Expand

: 109-52-4
valeric acid

: 2082-59-9
pentanoic anhydride

Conditions

Conditions	Yield
With triphenylphosphine; diethylazodicarboxylate In tetrahydrofuran Ambient temperature;	94%
With dicyclohexyl-carbodiimide In dichloromethane at 20℃; for 0.583333h; Time;	91%
With acetic anhydride at 150℃; for 0.5h;	88.5%

: 109-52-4
valeric acid

: 71-41-0
pentan-1-ol

Conditions

Conditions	Yield
With zinc(II) tetrahydroborate In tetrahydrofuran for 3h; Heating;	95%
With hydrogen In neat (no solvent) at 180℃; under 37503.8 Torr; for 18h;	83%
With hydrogen In water at 129.84℃; for 5h; Autoclave;	77%

: 108-46-3
recorcinol

: 109-52-4
valeric acid

: 15116-13-9
1-(2,4-dihydroxyphenyl) pentan-1-one

Conditions

Conditions	Yield
With zinc(II) chloride at 140 - 145℃; for 2h; Friedel Crafts acylation;	80%
With boron trifluoride diethyl etherate In chlorobenzene at 80℃; Friedel-Crafts Acylation;	70%
With zinc(II) chloride at 120℃; for 4h; Friedel-Crafts Acylation;	24.2%

: 4404-18-6
3-indolylacetic acid amidoxime

: 109-52-4
valeric acid

: C15H19N3O2

Conditions

Conditions	Yield
Stage #1: valeric acid With N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate In dichloromethane for 0.5h; Stage #2: 3-indolylacetic acid amidoxime In dichloromethane at 20℃; for 2h;	85%
Stage #1: valeric acid With N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate In dichloromethane for 0.5h; Stage #2: 3-indolylacetic acid amidoxime In dichloromethane at 20℃; for 2h;

: 90719-32-7
(S)-4-Benzyl-2-oxazolidinone

: 109-52-4
valeric acid

: 143868-89-7
3-(1-oxopentyl)-4(S)-(phenylmethyl)-2-oxazolidinone

Conditions

Conditions	Yield
Stage #1: valeric acid With pivaloyl chloride; triethylamine In tetrahydrofuran at -10 - 15℃; for 2h; Large scale; Stage #2: (S)-4-Benzyl-2-oxazolidinone With lithium chloride at 20℃; Large scale;	100%
Stage #1: valeric acid With pivaloyl chloride; triethylamine In tetrahydrofuran at -20 - -15℃; for 1h; Inert atmosphere; Stage #2: (S)-4-Benzyl-2-oxazolidinone With lithium chloride In tetrahydrofuran at -20 - 20℃; for 16h; Solvent; Temperature; Reagent/catalyst;	98.12%
Stage #1: valeric acid With pivaloyl chloride; triethylamine In tetrahydrofuran at -10℃; for 0.5h; Inert atmosphere; Stage #2: (S)-4-Benzyl-2-oxazolidinone With lithium chloride In tetrahydrofuran at 20 - 25℃; for 16h;	94%

: 590-17-0
cyanomethyl bromide

: 109-52-4
valeric acid

: 2-(cyanomethyl)pentanoic acid

Conditions

Conditions	Yield
Stage #1: valeric acid With n-butyllithium; diethylamine In tetrahydrofuran; hexane at -78 - 0℃; for 0.75h; Inert atmosphere; Stage #2: cyanomethyl bromide In tetrahydrofuran; hexane at -78 - 20℃; for 24h; Inert atmosphere;	78%
With n-butyllithium; diethylamine In tetrahydrofuran at 20℃; for 24h;	71%
With n-butyllithium; diethylamine In tetrahydrofuran; hexane at -78 - 20℃;	71%

: 100-46-9
benzylamine

: 109-52-4
valeric acid

: 10264-05-8
pentanoic acid benzylamide

Conditions

Conditions	Yield
With 6Zr(4+)4O(2-)6C14H8N2O4(2-)*4HO(1-) In tetrahydrofuran at 70℃; for 24h; Molecular sieve; Sealed tube; Inert atmosphere;	97%
With zirconium(IV) chloride In tetrahydrofuran at 70℃; for 24h; Molecular sieve; Inert atmosphere;	95%
With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine In dichloromethane at 0 - 20℃; for 14h; Inert atmosphere;	86%

: 30459-17-7
1-[4-(trifluoromethyl)phenyl]piperazine

: 109-52-4
valeric acid

: 1432445-22-1
1-(4-(4-(trifluoromethyl)phenyl)piperazin-1-yl)pentan-1-one

Conditions

Conditions	Yield
Stage #1: valeric acid With benzotriazol-1-ol; O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate; triethylamine In N,N-dimethyl-formamide at 20℃; for 0.25h; Inert atmosphere; Stage #2: 1-[4-(trifluoromethyl)phenyl]piperazine In N,N-dimethyl-formamide for 24h; Inert atmosphere;	57%
Stage #1: valeric acid With benzotriazol-1-ol; O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate; triethylamine In N,N-dimethyl-formamide at 20℃; for 0.25h; Inert atmosphere; Schlenk technique; Stage #2: 1-[4-(trifluoromethyl)phenyl]piperazine In N,N-dimethyl-formamide at 20℃; for 23h; Inert atmosphere; Schlenk technique;	57%

: 123-31-9
hydroquinone

: 109-52-4
valeric acid

: 4693-17-8
1-(2,5-dihydroxyphenyl)pentan-1-one

Conditions

Conditions	Yield
With boron trifluoride dihydrate at 90℃; for 0.333333h; Microwave irradiation;	52.5%
With zinc(II) chloride
With boron trifluoride

: 109-52-4
valeric acid

: 584-93-0
2-Bromovaleric acid

Conditions

Conditions	Yield
With bromine; phosphorus trichloride for 4.5h; Heating;	91%
With N-Bromosuccinimide; sulfuric acid In trifluoroacetic acid at 85℃; for 16h;	86%
With bromine; trichlorophosphate at 80 - 105℃; for 17h;	72.6%

: 2033-24-1
cycl-isopropylidene malonate

: 109-52-4
valeric acid

: 66696-78-4
5-(1-hydroxypentylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione

Conditions

Conditions	Yield
With dmap; dicyclohexyl-carbodiimide In dichloromethane at 20℃;	96%
With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane at 20℃; for 12h;

: 53-43-0
dehydroepiandrosterone

: 109-52-4
valeric acid

: 7642-68-4
17-oxoandrost-5-ene-3β-yl pentanoate

Conditions

Conditions	Yield
With dmap; dicyclohexyl-carbodiimide In chloroform at 20℃; for 2h;	96.1%
With dmap; dicyclohexyl-carbodiimide In chloroform at 20℃; for 2h;	96.7%

: 57-88-5
cholesterol

: 109-52-4
valeric acid

: 7726-03-6
cholesteryl n-pentanoate

Conditions

Conditions	Yield
With dmap; dicyclohexyl-carbodiimide In tetrahydrofuran at 20℃; for 36h;	92.5%

: 56-81-5
glycerol

: 109-52-4
valeric acid

: 98451-39-9, 119066-34-1, 119066-35-2, 22636-32-4
3-pentoxy-1,2-propanediol

Conditions

Conditions	Yield
With palladium on activated charcoal; hydrogen at 120℃; under 37503.8 Torr; for 16h; Reagent/catalyst; Solvent; Temperature; Autoclave; Inert atmosphere;	73%
With 5%-palladium/activated carbon; hydrogen at 20 - 120℃; under 37503.8 Torr; for 16h; Concentration; Autoclave;	72%
With palladium on activated charcoal; hydrogen In neat (no solvent) at 120℃; under 37503.8 Torr; for 16h;

: 96624-18-9
6-bromotryptamine

: 109-52-4
valeric acid

: 6-bromo-N-pentoyltryptamine

Conditions

Conditions	Yield
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane at 20℃; for 12h;	81%

: 1344732-94-0
2-(4-(hydroxymethyl)-4,5-dihydrooxazol-2-yl)phenol

: 109-52-4
valeric acid

: (2-(2-hydroxyphenyl)-4,5-dihydrooxazol-4-yl)methyl pentanoate

Conditions

Conditions	Yield
With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane at 20℃; for 6h;	79%

: 99395-88-7
(S)-4-phenyl-2-oxazolidinone

: 109-52-4
valeric acid

: (4S)-3-pentanoyl-4-phenyl-1,3-oxazolidin-2-one

Conditions

Conditions	Yield
Stage #1: valeric acid With pivaloyl chloride; sodium hydrogencarbonate In tert-butyl methyl ether at -40℃; for 10h; Inert atmosphere; Stage #2: (S)-4-phenyl-2-oxazolidinone With lithium chloride In tert-butyl methyl ether at 35 - 40℃; for 4h;	90%
Stage #1: (S)-4-phenyl-2-oxazolidinone; valeric acid With dmap In dichloromethane at 25 - 30℃; for 0.166667h; Stage #2: With dicyclohexyl-carbodiimide In dichloromethane at 5 - 10℃; for 12h;	243.6 g

: 78-81-9
isobutylamine

: 109-52-4
valeric acid

: N-isobutylpentanamide

Conditions

Conditions	Yield
With N-ethyl-N,N-diisopropylamine; chlorotri(pyrrolidin-1-yl)phosphonium hexafluorophosphate In N,N-dimethyl-formamide at 0 - 20℃; for 12h;	80%

: 115-77-5
Pentaerythritol

: 109-52-4
valeric acid

: 15834-04-5
pentaerythritol tetrapentanoate ester

Conditions

Conditions	Yield
With sulfuric acid; toluene-4-sulfonic acid at 105℃; for 0.15h; Neat (no solvent); Microwave irradiation;	97%
at 180℃;
With toluene-4-sulfonic acid In xylene Esterification; Heating;	274 g
In toluene at 155℃; for 10h; Green chemistry;	98 %Spectr.
With (cetyltrimethylammonium)1/3[Cu46(C9H3O6)24(OH)12](PW12O40)3·xH2O (COK-15b) In toluene at 135℃; for 6h; Green chemistry;	91 %Spectr.

: 60-12-8
2-phenylethanol

: 109-52-4
valeric acid

: 7460-74-4
phenethylpentanoate

Conditions

Conditions	Yield
With ion-exchange resin KU-2-8 In benzene at 80 - 85℃;	89%
With tin (II) oxalate at 170 - 210℃; under 50 - 100 Torr; for 2h;	75%

glucomannan acetate: glucomannan acetate

: 109-52-4
valeric acid

glucomannan acetate valerate, DS 1 (acetyl) and 2 (valeroyl): glucomannan acetate valerate, DS 1 (acetyl) and 2 (valeroyl)

Conditions

Conditions	Yield
Stage #1: valeric acid With trifluoroacetic anhydride at 50℃; for 0.333333h; Stage #2: glucomannan acetate at 50℃; for 0.5h; Inert atmosphere;	77%

: 110-89-4
piperidine

: 109-52-4
valeric acid

: 18494-52-5
1-(piperidin-1-yl)pentan-1-one

Conditions

Conditions	Yield
With tris(2,2,2-trifluoroethyl) borate for 18h; Dean-Stark; Reflux;	91%
With copper In benzene at 80℃; for 8h;	75%

: N-((4aS,7aR)-7a-((1R,2R)-2-aminocyclopropyl)-4a,5,7,7a-tetrahydro-4H-furo[3,4-d][1,3]thiazin-2-yl)benzamide

: 109-52-4
valeric acid

: N-((4aS,7aR)-7a-((1R,2R)-2-pentanamidocyclopropyl)-4a,5,7,7a-tetrahydro-4H-furo[3,4-d][1,3]thiazin-2-yl)benzamide

Conditions

Conditions	Yield
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane; N,N-dimethyl-formamide at 20℃; Inert atmosphere;	83%

Valeric acid Consensus Reports

Reported in EPA TSCA Inventory.

Valeric acid Specification

The Valeric acid is an organic compound with the formula C₅H₁₀O₂. The IUPAC name of this chemical is Pentanoic acid. With the CAS registry number 109-52-4, it is also named as 1-Butanecarboxylate. The product's categories are API Intermediates; Alkylcarboxylic Acids; Monofunctional & alpha,omega-Bifunctional Alkanes; Monofunctional Alkanes; Aliphatics; Carboxylic Acids. Besides, it should be stored in a cool and well-ventilated place. Its primary use is in the synthesis of its esters. Volatile esters of valeric acid tend to have pleasant odors and are used in perfumes and cosmetics. Ethyl valerate and pentyl valerate are used as food additives because of their fruity flavors.

Physical properties about Valeric acid are: (1)ACD/LogP: 1.31 ; (2)ACD/LogD (pH 5.5): 0.51; (3)ACD/LogD (pH 7.4): -1.28; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 19.58; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 26.3 Å²; (12)Index of Refraction: 1.42; (13)Molar Refractivity: 26.77 cm³; (14)Molar Volume: 105.6 cm³; (15)Polarizability: 10.61×10^-24cm³; (16)Surface Tension: 32.7 dyne/cm; (17)Density: 0.966 g/cm³; (18)Flash Point: 80.5 °C; (19)Enthalpy of Vaporization: 44.57 kJ/mol; (20)Boiling Point: 185.3 °C at 760 mmHg; (21)Vapour Pressure: 0.452 mmHg at 25°C.

Preparation: this chemical can be prepared by Tetrahydro-pyran-2-one. This reaction will need solvent hexamethylphosphoric acid triamide, H₂O. The reaction time is 17 hours. The yield is about 60%.

Uses of Valeric acid: it can be used to produce 1-(4-methoxy-phenyl)-pentan-1-one. It will need reagent polyphosphoric acid.

When you are using this chemical, please be cautious about it as the following:
It can cause burns. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical is harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment. When you are using it, wear suitable protective clothing and avoid release to the environment. Refer to special instructions/safety data sheet. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)CCCC
(2)InChI: InChI=1/C5H10O2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H,6,7)
(3)InChIKey: NQPDZGIKBAWPEJ-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C5H10O2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H,6,7)
(5)Std. InChIKey: NQPDZGIKBAWPEJ-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LC50	inhalation	4100mg/m³/2H (4100mg/m³)		"Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 119, 1982.
mouse	LD50	intraperitoneal	3590mg/kg (3590mg/kg)		Journal of Pharmacy and Pharmacology. Vol. 21, Pg. 85, 1969.
mouse	LD50	intravenous	1290mg/kg (1290mg/kg)	BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION	Acta Pharmacologica et Toxicologica. Vol. 18, Pg. 141, 1961.
mouse	LD50	oral	600mg/kg (600mg/kg)		"Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 119, 1982.
mouse	LD50	subcutaneous	3590mg/kg (3590mg/kg)		Journal of Pharmacy and Pharmacology. Vol. 21, Pg. 85, 1969.

Product Name

Valeric acid

Synthetic route

Valeric acid Consensus Reports

Valeric acid Specification

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