Valeraldehyde supplier | CasNO.110-62-3

Name
Valeric aldehyde
EINECS 203-784-4
CAS No. 110-62-3
Article Data401
CAS DataBase
Density 0.794 g/cm³
Solubility 14 g/L (20 °C) in water
Melting Point - 92 °C
Formula C₅H₁₀O
Boiling Point 103.7 °C at 760 mmHg
Molecular Weight 86.1338
Flash Point 12.2 °C
Transport Information UN 2058 3/PG 2
Appearance colorless liquid
Safety 16-26-33-37/39
Risk Codes 11-41-36/37/38
Molecular Structure
Hazard Symbols Xi; F
Synonyms Valeraldehyde(8CI);NSC 35404;Pentylaldehyde;Valeral;Valeric acid aldehyde;Valericaldehyde;n-Pentanal;n-Valeraldehyde;Pentanal;
PSA 17.07000
LogP 1.37550

Synthetic route

: 71-41-0
pentan-1-ol

: 110-62-3
pentanal

Conditions

Conditions	Yield
With oxidase In water at 40℃; Reformatsky Reaction; Enzymatic reaction;	100%
With dihydrogen peroxide In water at 65℃; for 4h; Catalytic behavior; Green chemistry; chemoselective reaction;	97%
With chromium(VI) oxide; silica gel for 0.05h; microwave irradiation;	96%

: 64847-80-9
1,1-diacetoxypentane

: 110-62-3
pentanal

Conditions

Conditions	Yield
With poly(4-vinylpyridine)-supported sulfuric acid In acetonitrile at 20℃; for 1.5h; Green chemistry;	100%
With ammonium cerium(IV) nitrate In acetonitrile at 70℃; for 4.5h;	90%
With N-sulfonic acid poly(4-vinylpyridinium) chloride In methanol at 20℃; for 0.666667h;	88%
With sulfonated rice husk ash In acetonitrile at 60℃; for 0.0833333h;	88%

: 106-98-9
1-butylene

: 201230-82-2
carbon monoxide

: 110-62-3
pentanal

Conditions

Conditions	Yield
With dicarbonylacetylacetonato rhodium (I); C41H30O8P2; hydrogen In toluene at 90℃; under 3750.38 - 7500.75 Torr; for 3h; Reagent/catalyst; regioselective reaction;	98.2%
With [bmim][n-C8H17OSO3]; hydrogen; 2,7-bis(SO3Na)-4,5-bis(PPh2)-9,9-Me2-xanthene Rh complex at 120℃; under 7950.8 Torr; for 0.00472222h; Kinetics; Activation energy; Further Variations:; Pressures; Temperatures; syngas composition, educt conc., catalyst conc.;	97.7%
With (acetylacetonato)dicarbonylrhodium (l); C43H53O8P; hydrogen In toluene under 37503.8 Torr; for 12h; Catalytic behavior; Reagent/catalyst; regioselective reaction;	97.4%

: 590-18-1
(Z)-2-Butene

: 201230-82-2
carbon monoxide

: 110-62-3
pentanal

Conditions

Conditions	Yield
With (acetylacetonato)dicarbonylrhodium (l); 1,2,4,5-tetraisopropylbenzene; C43H53O8P; hydrogen In toluene under 37503.8 Torr; for 12h; Catalytic behavior; Pressure; regioselective reaction;	96.5%
With acetylacetonatodicarbonylrhodium(l); 3,3'-di-tert-butyl-5,5'-dimethoxy-[1,1'-biphenyl]-2,2'-diyltetrakis(2,4-dimethylphenyl)bis(phosphite); bis-(2,2,6,6-tetramethyl-4-piperidinyl) sebacate; hydrogen In toluene at 120℃; under 15001.5 Torr; for 12h; Catalytic behavior; Reagent/catalyst; Autoclave;	95%
With dicarbonylacetylacetonato rhodium (I); trans-1,12-bis((di(1H-pyrrol-1-yl)phosphino)oxy)-5,5a,6,7,7a,8-hexahydrocyclopenta[1,2-b:1,5-b']dichromene; hydrogen In toluene at 110℃; under 3750.38 - 7500.75 Torr; for 15h; Glovebox; Autoclave; regioselective reaction;

: 14629-45-9
1-pentyl(trimethylsilyl)ether

: 110-62-3
pentanal

Conditions

Conditions	Yield
With 1,4-dichloro-1,4-diazoniabicyclo[2,2,2]octane bis-chloride In water at 50℃; for 0.333333h; pH=7;	95%
With (H2DABCO)2(HDABCO)2(Br)2(Br3)4 In water at 80℃; for 0.333333h;	95%
With ammonium cerium(IV) nitrate; HZSM-5 zeolite In water for 0.0833333h; microwave irradiation;	92%

: 821-09-0
n-Pent-4-enyl alcohol

: 110-62-3
pentanal

Conditions

Conditions	Yield
[CpRu(η2-P,N-L)(CH3CN)]PF6 In [(2)H6]acetone; [(Me3Si)4C] at 70℃; for 5h; Product distribution / selectivity;	95%
C21H29N3PRu(1+)*F6P(1-) In dichloromethane; [(Me3Si)4C] at 20℃; for 24 - 48h; Product distribution / selectivity;	95%
{CpRu[P(i-Pr)2(1-Me-4-tBu-imidazol-2-yl)]MeCN}*PF6 In acetone at 70℃; for 1h;	95 % Spectr.
[CpRu(PN)(MeCN)]PF6 In [(2)H6]acetone at 70℃; for 1 - 5h; Product distribution / selectivity;	> 95 %Spectr.

: 78709-76-9
{bis(triphenylphosphine)nitrogen}{HW(CO)5}

: 638-29-9
n-valeryl chloride

A: 110-62-3
pentanal

B: 39048-34-5
bis(triphenylphosphoranylidene)ammonium chloropentacarbonyltungstate

Conditions

Conditions	Yield
In tetrahydrofuran 1:1 molar ratio, THF, 25.degree,C;; detected by NMR, Ir spectra and GC analysis;;	A 95% B n/a

...Expand

: 78362-94-4
{PPN}{HCr(CO)5}

: 638-29-9
n-valeryl chloride

A: 110-62-3
pentanal

B: 65650-76-2
bis(triphenylphosphine)nitrogen{Cr(CO)5Cl}

Conditions

Conditions	Yield
In tetrahydrofuran 1:1 molar ratio, THF, 25°C;; detected by NMR and IR spectra; and GC analysis,;	A 95% B n/a

...Expand

: 110-53-2
1-Bromopentane

: 110-62-3
pentanal

Conditions

Conditions	Yield
With dimethyl sulfoxide for 0.0361111h; Kornblum oxidation; Microwave irradiation;	95%

: 71-41-0
pentan-1-ol

A: 96-47-9
2-methyltetrahydrofuran

B: 542-69-8
1-iodo-butane

C: 110-62-3
pentanal

Conditions

Conditions	Yield
With N-iodo-succinimide In chlorobenzene for 2h; Irradiation;	A 94% B 1% C n/a
With N-iodo-succinimide In chlorobenzene for 2h; Product distribution; Irradiation; var. irradiat. times, temps. and light cond.;	A 94% B 1% C n/a

...Expand

: 14090-57-4
Valeraldehyde N,N-dimethylhydrazone

: 110-62-3
pentanal

Conditions

Conditions	Yield
With iron(II) sulfate In chloroform at 20℃; for 0.5h; Hydrolysis;	94%
With triethylene diamine nickel thiosulfate; water In chloroform at 20℃; for 0.0833333h; Hydrolysis;	94%
With 3-benzyl-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium chloride In chloroform at 20℃; for 1h; oxidative cleavage;	90%

: 67407-13-0
valeraldehyde tosylhydrazone

: 110-62-3
pentanal

Conditions

Conditions	Yield
With benzeneseleninic anhydride In tetrahydrofuran for 0.5h; Ambient temperature;	92%

: 6228-43-9
pentanal N-phenylhydrazone

: 110-62-3
pentanal

Conditions

Conditions	Yield
With iron(II) sulfate In chloroform at 20℃; for 0.666667h; Hydrolysis;	92%

: 6920-22-5
Hexane-1,2-diol

: 110-62-3
pentanal

Conditions

Conditions	Yield
With tert-butylhypochlorite; lead acetate; dibenzoyl peroxide In toluene at 20℃; for 0.75h;	92%
With C21H12Cl6NO4V; oxygen In toluene at 100℃; for 1h;
With cerium(III) chloride heptahydrate; tetrabutyl-ammonium chloride In [D3]acetonitrile at 20℃; for 18h; Molecular sieve; Sealed tube; Irradiation;	79 %Spectr.

: 13183-22-7
pentanal semicarbazone

: 110-62-3
pentanal

Conditions

Conditions	Yield
With (H2DABCO)2(HDABCO)2(Br)2(Br3)4 In water at 80℃; for 0.25h;	92%

: 463-04-7
n-Amyl nitrite

: 110-62-3
pentanal

Conditions

Conditions	Yield
With boron trifluoride diethyl etherate In diethyl ether for 4h; Ambient temperature;	91%

: 636-36-2, 6064-63-7
rac-2-hydroxyhexanoic acid

: 110-62-3
pentanal

Conditions

Conditions	Yield
With tetrabutylammonium periodite In chloroform for 3h; Heating;	90%
With permanganate(VII) ion

: 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

: 13939-88-3
2-butyl-1,3-dithiolane

: 110-62-3
pentanal

Conditions

Conditions	Yield
With selenium(IV) oxide In acetic acid for 1.66667h; Ambient temperature;	90%

: 5775-76-8, 5780-42-7, 628-79-5
valeraldoxime

: 110-62-3
pentanal

Conditions

Conditions	Yield
With 1,4-dichloro-1,4-diazoniabicyclo[2,2,2]octane bischloride In water at 50℃; for 0.25h; pH=7;	90%
With N-Bromosuccinimide; β‐cyclodextrin In water; acetone at 20℃; for 0.333333h;	80%

: 32767-70-7
2-(pentyloxy)tetrahydro-2H-pyran

: 110-62-3
pentanal

Conditions

Conditions	Yield
With 1,4-dichloro-1,4-diazoniabicyclo[2,2,2]octane bis-chloride In water at 50℃; for 0.333333h; pH=7;	90%
With (H2DABCO)2(HDABCO)2(Br)2(Br3)4 In water at 80℃; for 0.333333h;	90%

: 591-50-4
iodobenzene

: 4,4-dimethyl-nona-1,2-dien-5-ol

A: 110-62-3
pentanal

B: 1009-08-1
4-methyl-2-phenyl-1,3-pentadiene

Conditions

Conditions	Yield
With potassium carbonate; tetrakis(triphenylphosphine) palladium(0) In 1,4-dioxane for 6h; Heating;	A n/a B 88%

...Expand

: 636-98-6
p-nitrobenzene iodide

: 4,4-dimethyl-nona-1,2-dien-5-ol

A: 110-62-3
pentanal

B: 2-methyl-4-(p-nitrophenyl)-2,4-pentadiene

Conditions

Conditions	Yield
With potassium carbonate; tetrakis(triphenylphosphine) palladium(0) In 1,4-dioxane for 6h; Heating;	A n/a B 87%

...Expand

: 1576-95-0
cis-2-penten-1-ol

A: 110-62-3
pentanal

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

Conditions

Conditions	Yield
With hydrogen In water at 20℃; under 759.826 Torr; for 24h;	A 7% B 87%

: 30478-77-4
1-(furan-2-yl)pentan-1-ol

A: 14032-66-7
5-hydroxy-2-(5H)-furanone

B: 110-62-3
pentanal

Conditions

Conditions	Yield
With water; oxygen; rose bengal In tetrahydrofuran at 0℃; for 3h; Mechanism; Irradiation;	A 85% B n/a

: 57404-82-7
lithium bis(ethylenedioxyboryl)methide

: 123-72-8
butyraldehyde

: 110-62-3
pentanal

Conditions

Conditions	Yield
In tetrahydrofuran for 3h; Product distribution; Mechanism; Ambient temperature; followed by reaction with aq. H2O2 / aq. NaHCO3;	85%

: 1187758-95-7
2-(2-butyl-1,3-dioxolan-4-yl)-3-phenyl-4H-1,1-dioxothiochromen-4-one

A: 110-62-3
pentanal

B: 1187758-79-7
2-(1,2-dihydroxyethyl)-3-phenyl-4H-thiochromen-4-one 1,1-dioxide

Conditions

Conditions	Yield
In d(4)-methanol; water; water-d2; acetonitrile at 20℃; light irradiation;	A 84% B n/a

: 2591-86-8
N-Formylpiperidine

: 109-72-8, 29786-93-4
n-butyllithium

: 110-62-3
pentanal

Conditions

Conditions	Yield
In hexane for 0.166667h; Ambient temperature;	83%

: 628-05-7
1-nitropentane

: 110-62-3
pentanal

Conditions

Conditions	Yield
With dihydrogen peroxide for 3h; Ionic liquid; Alkaline conditions;	82%
With dihydrogen peroxide; potassium carbonate In methanol; water for 8h; Ambient temperature;	81%
With N,N,N,N,-tetramethylethylenediamine; oxygen; copper In N,N-dimethyl-formamide for 28h; Ambient temperature;	100 % Turnov.

: 110-62-3
pentanal

: 71-41-0
pentan-1-ol

Conditions

Conditions	Yield
With hydrogen; triethylamine; chromium(0) hexacarbonyl at 160℃; under 75006 Torr; for 3h;	100%
With C79H23ClIrNO2; potassium carbonate In isopropyl alcohol for 18h; Inert atmosphere; Reflux;	99%
	94%

: 110-62-3
pentanal

: 108-24-7
acetic anhydride

: 64847-80-9
1,1-diacetoxypentane

Conditions

Conditions	Yield
With poly(4-vinylpyridine)-supported sulfuric acid In dichloromethane at 20℃; for 0.5h; Green chemistry; chemoselective reaction;	100%
With 2,4,4,6-Tetrabromo-2,5-cyclohexadien-1-one at 50℃; for 20h;	94%
With sulfonated rice husk ash In neat (no solvent) at 20℃; for 0.0166667h; chemoselective reaction;	91%

: 95-14-7
1,2,3-Benzotriazole

: 110-62-3
pentanal

: 111507-82-5
1-Benzotriazol-1-yl-pentan-1-ol

Conditions

Conditions	Yield
at 25℃;	100%

: 110-62-3
pentanal

: 3112-85-4
Methyl phenyl sulfone

: 86653-06-7
1-(phenylsulfonyl)hexan-2-ol

Conditions

Conditions	Yield
With n-butyllithium In tetrahydrofuran at -78℃; to r.t.;	100%

: 110-62-3
pentanal

: 75-86-5
2-hydroxy-2-methylpropanenitrile

: 10021-65-5
D-2-Hydroxy-hexansaeurenitril

Conditions

Conditions	Yield
With citrate buffer In di-isopropyl ether for 13h; Ambient temperature; mandelonitrile lyase, pH 5.5;	100%
oxynitrilase;	82%

: 110-62-3
pentanal

: 693-02-7
hex-1-yne

: 73252-74-1
Undec-6-in-5-ol

Conditions

Conditions	Yield
Stage #1: hex-1-yne With n-butyllithium In tetrahydrofuran; hexane at -78℃; for 1h; Inert atmosphere; Stage #2: pentanal In tetrahydrofuran; hexane at -78℃; for 0.5h; Inert atmosphere;	100%
Stage #1: hex-1-yne With n-butyllithium In tetrahydrofuran; hexane at -78℃; for 0.5h; Inert atmosphere; Stage #2: pentanal In tetrahydrofuran; hexane at 20℃; for 0.5h; Inert atmosphere;	92%
With n-butyllithium In tetrahydrofuran at -78℃; for 2h;	87%

: 110-62-3
pentanal

: 24850-33-7
allyltributylstanane

: 40575-42-6
1-octen-4-ol

Conditions

Conditions	Yield
With tin(ll) chloride In acetonitrile for 2h; Product distribution; Mechanism; variation of solvent; further reactions with various allylic tin compounds and carbonyls or imines;	100%
With tin(ll) chloride In acetonitrile for 2h;	100%
With ammonium cerium(IV) nitrate In acetonitrile at 20℃; for 0.416667h;	90%
With MgI2*(OEt)n In diethyl ether; dichloromethane; benzene at 20℃; for 5h;	74%

: 110-62-3
pentanal

: 870-46-2
t-butoxycarbonylhydrazine

: N'-pentylidenehydrazinecarboxylic acid tert-butyl ester

Conditions

Conditions	Yield
In toluene at 50℃; for 1h;	100%

: 110-62-3
pentanal

: 130-15-4
[1,4]naphthoquinone

: 2,3-dihydro-3-propylnaphtho[1,2-b]furan-2,5-diol

Conditions

Conditions	Yield
With (2S)-2-{diphenyl[(trimethylsilyl)oxy]methyl}pyrrolidine In ethanol; water at -24℃;	100%

: 110-62-3
pentanal

: 34529-06-1
dimethyl 3-aminophthalate

: 444287-96-1
3-pentylamino-phthalic acid dimethyl ester

Conditions

Conditions	Yield
With sodium tris(acetoxy)borohydride; acetic acid In dichloromethane	100%
Stage #1: pentanal; dimethyl 3-aminophthalate With acetic acid In dichloromethane for 0.0833333h; Stage #2: With sodium tris(acetoxy)borohydride In dichloromethane at 20℃; Stage #3: With water; sodium hydrogencarbonate In dichloromethane

: 110-89-4
piperidine

: 110-62-3
pentanal

: 49845-25-2
1-(pent-1-en-1-yl)piperidine

Conditions

Conditions	Yield
toluene-4-sulfonic acid In benzene for 2.5h; Heating / reflux;	100%

: 626-05-1
2,6-Dibromopyridine

: 110-62-3
pentanal

: 638214-52-5
1-(6-bromo-2-pyridinyl)-1-pentanol

Conditions

Conditions	Yield
Stage #1: 2,6-Dibromopyridine With n-butyllithium In tetrahydrofuran; hexanes at -78℃; for 1h; Stage #2: pentanal In tetrahydrofuran; hexanes at -78℃; for 0.266667h;	100%

: 123-75-1
pyrrolidine

: 110-62-3
pentanal

: 7677-24-9
trimethylsilyl cyanide

: 2-(pyrrolidin-1-yl)hexanenitrile

Conditions

Conditions	Yield
With polymer-supported scandium(III) bis(trifluoromethanesulfonate) In acetonitrile at 20℃; for 0.5h; Strecker reaction; Combinatorial reaction / High throughput screening (HTS); chemoselective reaction;	100%

...Expand

: 110-62-3
pentanal

: 7677-24-9
trimethylsilyl cyanide

: 64-04-0
phenethylamine

: 1108730-76-2
2-(phenethylamino)hexanenitrile

Conditions

Conditions	Yield
With polymer-supported scandium(III) bis(trifluoromethanesulfonate) In acetonitrile at 20℃; for 0.5h; Strecker reaction; Combinatorial reaction / High throughput screening (HTS); chemoselective reaction;	100%

...Expand

: 110-62-3
pentanal

: 1159114-91-6
2-(2-bromo-allyl)-4,4,5,5-tetramethyl-[1,3,2]dioxaborolane

: 1159114-95-0
(S)-2-bromo-oct-1-en-4-ol

Conditions

Conditions	Yield
Stage #1: 2-(2-bromo-allyl)-4,4,5,5-tetramethyl-[1,3,2]dioxaborolane With (R,R)-1,2-bis(2-cyclooctyl-4-fluoro-phenyl)ethane-1,2-diol; tin(IV) chloride; sodium carbonate In dichloromethane; toluene at -78℃; for 0.5h; Molecular sieve; Inert atmosphere; Stage #2: pentanal at -78℃; for 24h; Inert atmosphere; optical yield given as %ee; enantioselective reaction; Further stages;	100%

: 110-62-3
pentanal

: ethyl isocyano formate

: N-(2-hydroxy-hexanoyl)-glycine ethyl ester

Conditions

Conditions	Yield
With water; sodium tosylate at 20℃; for 7h; Passerini Condensation;	100%

: 110-62-3
pentanal

: 4229-44-1
N-methylhydroxyamine hydrochloride

: N-methylpentan-1-imine oxide

Conditions

Conditions	Yield
With sodium hydrogencarbonate; calcium chloride In diethyl ether; water for 1h;	100%

: 110-62-3
pentanal

: 57497-39-9
N-tertbutylhydroxylamine hydrochloride

: C9H19NO

Conditions

Conditions	Yield
With pyrrolidine In dichloromethane at 20℃; for 0.05h;	100%

: 110-62-3
pentanal

: N-methylpentan-1-imine oxide

Conditions

Conditions	Yield
With N-methylhydroxyamine hydrochloride; sodium hydrogencarbonate; calcium chloride In diethyl ether; water for 1h;	100%

: 110-62-3
pentanal

: 41718-50-7
2,2-dichloropentanal

Conditions

Conditions	Yield
With chlorine; pyrrolidine formamide hydrochloride In tetrachloromethane at 60 - 70℃;	99.4%
With chlorine In tetrachloromethane; N,N-dimethyl-formamide	99.4%
With chlorine; 2,6-lutidine hydrochloride In dichloromethane at 70℃; for 0.5h; Chlorination;	92%

: 110-62-3
pentanal

: 75-52-5
nitromethane

: 2224-40-0
1-nitrohexan-2-ol

Conditions

Conditions	Yield
With rac-1',2',3',4'-tetrahydro-1,1'-bisisoquinoline In tetrahydrofuran at 20℃; for 24h; Henry Nitro Aldol Condensation;	99%
With 1,8-diazabicyclo[5.4.0]undec-7-ene; 1-ethyl-3-methylimidazolium tetrafluoroborate at 20℃; for 0.0333333h; Henry reaction;	98%
With potassium carbonate; 1-butyl-3-methylimidazolium Tetrafluoroborate at 20℃; for 6h; Henry reaction;	93%

: 110-62-3
pentanal

: 7677-24-9
trimethylsilyl cyanide

: 106942-21-6
2-Trimethylsilyloxy-n-capronitril

Conditions

Conditions	Yield
With C32H39Br2MgN2(1-)*C16H32LiO4(1+) In chloroform-d1 at 20℃; for 0.25h; Inert atmosphere; Glovebox;	99%
Fe(Cp)2PF6 at 20℃; for 0.166667h;	89%
With C32H39Br2MgN2(1-)*C16H32LiO4(1+) In chloroform-d1 at 20℃; for 0.25h; Glovebox; Inert atmosphere; chemoselective reaction;	85%

: 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%

: 110-62-3
pentanal

: 159085-03-7
4-<11C>cyanobutylidene(triphenyl)phosphorane

: C9(11)CH17N

Conditions

Conditions	Yield
With 1,2-dichloro-benzene at 140 - 170℃; for 0.166667h;	99%

: 110-62-3
pentanal

: 2687-43-6
O-benzylhydoxylamine hydrochloride

: 72399-21-4
pentanal O-benzyloxime

Conditions

Conditions	Yield
With pyridine at 20℃; for 18h; Condensation;	99%

: 110-62-3
pentanal

: 7677-24-9
trimethylsilyl cyanide

: 100-65-2
N-Phenylhydroxylamine

: 2-(hydroxy-phenyl-amino)-hexanenitrile

Conditions

Conditions	Yield
With diethyl ether; lithium perchlorate at 20℃; for 0.25h; coupling reaction;	99%

...Expand

: 110-62-3
pentanal

: 36198-87-5
dimethyl trimethylsilyl phosphite

: 100-65-2
N-Phenylhydroxylamine

: C16H30NO4PSi

Conditions

Conditions	Yield
With diethyl ether; lithium perchlorate at 20℃; for 0.25h;	99%

...Expand

: 110-62-3
pentanal

: 1193-82-4
racemic methyl phenyl sulfoxide

: 442159-98-0
1-(phenylsulfinyl)-2-hexanol

Conditions

Conditions	Yield
Stage #1: racemic methyl phenyl sulfoxide With lithium diisopropyl amide In tetrahydrofuran at -78℃; for 0.25h; Stage #2: pentanal In tetrahydrofuran at -78℃; for 0.25h;	99%

Valeraldehyde Consensus Reports

Reported in EPA TSCA Inventory.

Valeraldehyde Standards and Recommendations

OSHA PEL: TWA 50 ppm
ACGIH TLV: TWA 50 ppm
DOT Classification: 3; Label: Flammable Liquid

Valeraldehyde Analytical Methods

For occupational chemical analysis use NIOSH: Valeraldehyde 2536.

Valeraldehyde Specification

The Pentanal, with the CAS registry number 110-62-3 and EINECS registry number 200-710-2, is also called pentanaldehyde or valeraldehyde. And the molecular formula of this chemical is C₅H₁₀O. It is a kind of colourless liquid, and slightly soluble in water, and may be sensitive to prolonged exposure to air. What's more, it should be stored at 0-6°C.

The physical properties of Pentanal are as following: (1)ACD/LogP: 1.44; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.44; (4)ACD/LogD (pH 7.4): 1.44; (5)ACD/BCF (pH 5.5): 7.29; (6)ACD/BCF (pH 7.4): 7.29; (7)ACD/KOC (pH 5.5): 144.22; (8)ACD/KOC (pH 7.4): 144.22; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 17.07 Å²; (13)Index of Refraction: 1.384; (14)Molar Refractivity: 25.4 cm³; (15)Molar Volume: 108.3 cm³; (16)Polarizability: 10.06×10^-24cm³; (17)Surface Tension: 24 dyne/cm; (18)Density: 0.794 g/cm³; (19)Flash Point: 12.2 °C; (20)Enthalpy of Vaporization: 34.28 kJ/mol; (21)Boiling Point: 103.7 °C at 760 mmHg; (22)Vapour Pressure: 31.8 mmHg at 25°C.

Uses and preparation of Pentanal: It is used in flavorings, resin chemistry, and rubber accelerators. It is also used to prepare pentanol and oxidation of pentanol. What's more, it can be prepared by 1-butylene and syngas(CO/H₂) at 19.6-29.7 MPa, 150-170 ^°C.
CH₂=CHCH₂CH₃+CO+H₂→CH₃CH₂CH₂CH₂CHO

You should be cautious while dealing with this chemical. It is a kind of flammable chemical, and it irritates eyes, respiratory system and skin. It also has risk of serious damage to eyes. Therefore, you had better take the following instructions: Wear suitable gloves and eye/face protection, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice; Keep away from sources of ignition - No smoking; Take precautionary measures against static discharges.

You can still convert the following datas into molecular structure:
(1)SMILES: O=CCCCC
(2)InChI: InChI=1/C5H10O/c1-2-3-4-5-6/h5H,2-4H2,1H3
(3)InChIKey: HGBOYTHUEUWSSQ-UHFFFAOYAJ

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
guinea pig	LD50	skin	20gm/kg (20000mg/kg)		Food and Cosmetics Toxicology. Vol. 17, Pg. 919, 1979.
mouse	LD50	intraperitoneal	200mg/kg (200mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: MUSCLE WEAKNESS BEHAVIORAL: ATAXIA	National Technical Information Service. Vol. OTS0533619,
mouse	LD50	oral	6400mg/kg (6400mg/kg)		Food and Cosmetics Toxicology. Vol. 17, Pg. 919, 1979.
mouse	LDLo	subcutaneous	2gm/kg (2000mg/kg)		Annales Pharmaceutiques Francaises. Vol. 14, Pg. 710, 1956.
rabbit	LD50	skin	5mL/kg (5mL/kg)	SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE"	National Technical Information Service. Vol. OTS0535072,
rat	LCLo	inhalation	4000ppm/4H (4000ppm)		American Industrial Hygiene Association Journal. Vol. 30, Pg. 470, 1969.
rat	LD50	intraperitoneal	400mg/kg (400mg/kg)	BEHAVIORAL: MUSCLE WEAKNESS BEHAVIORAL: ATAXIA	National Technical Information Service. Vol. OTS0533619,
rat	LD50	oral	5660uL/kg (5.66mL/kg)		American Industrial Hygiene Association Journal. Vol. 30, Pg. 470, 1969.

Product Name

Valeric aldehyde

Synthetic route

Valeraldehyde Consensus Reports

Valeraldehyde Standards and Recommendations

Valeraldehyde Analytical Methods

Valeraldehyde Specification

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