1,5-Pentanediol supplier | CasNO.111-29-5

Name
1,5-Pentanediol
EINECS 203-854-4
CAS No. 111-29-5
Article Data215
CAS DataBase
Density 0.982 g/cm³
Solubility miscible in water
Melting Point -18 °C
Formula C₅H₁₂O₂
Boiling Point 238.999 °C at 760 mmHg
Molecular Weight 104.149
Flash Point 129.444 °C
Transport Information
Appearance clear colorless oily liquid
Safety 24/25
Risk Codes Xn:Harmful;
Molecular Structure
Hazard Symbols Xn
Synonyms 1,5-Pentamethylene glycol;NSC 5927;Pentamethylene glycol;Pentylene glycol;a,w-Pentanediol;w-Pentanediol;1,5-Dihydroxypentane;
PSA 40.46000
LogP 0.14130

Synthetic route

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

: 111-29-5
1 ,5-pentanediol

Conditions

Conditions	Yield
With trimethoxysilane; lithium methanolate In tetrahydrofuran for 0.5h; Ambient temperature;	100%
With hydrogen In 1,2-dimethoxyethane at 80℃; under 60006 Torr; for 2h; Reagent/catalyst;	87.7%
With sodium tetrahydroborate; C36H30F6N10Ni4O10(2+)*2C2F3O2(1-); zinc(II) chloride In tetrahydrofuran at 45℃; for 12h;	79%

: 500878-72-8
5-[(4-methoxy-phenyl)-diphenyl-methoxy]-pentan-1-ol

: 111-29-5
1 ,5-pentanediol

Conditions

Conditions	Yield
With methanol In chloroform-d1 for 0.25h; UV-irradiation;	100%
With methanol Irradiation;

: 111-30-8
Glutaraldehyde

: 111-29-5
1 ,5-pentanediol

Conditions

Conditions	Yield
With hydrogen In water at 120℃; under 150015 Torr; Compressed gas(es);	98%
With methanol; dmap; aluminum oxide for 0.133333h; microwave irradiation;	90%
With sodium tetrahydroborate In methanol at 20℃; for 1h;

: 453-44-1
1,5-bis-trifluoroacetoxy-pentane

: 111-29-5
1 ,5-pentanediol

Conditions

Conditions	Yield
With silica gel; triethylamine In diethyl ether; Petroleum ether Substitution; Detrifluoroacetylation;	96%

: 132273-31-5
(5-Benzyloxy-pentyloxy)-diethyl-isopropyl-silane

: 111-29-5
1 ,5-pentanediol

Conditions

Conditions	Yield
With hydrogen; palladium dihydroxide In methanol at 26℃; for 6h;	93%

: 1119-40-0
Dimethyl glutarate

: 111-29-5
1 ,5-pentanediol

Conditions

Conditions	Yield
With hydrogen; sodium methylate; RuCl2(L-1) In tetrahydrofuran at 100℃; under 37503.8 Torr; for 2.5h; Product distribution / selectivity;	93%
With hydrogen; sodium methylate; dichloro-bis-[2-(diphenylphosphino)ethylamine]ruthenium In tetrahydrofuran at 100℃; under 37503.8 Torr; for 2.5h; Product distribution / selectivity;	72%
With Ag/SiO2; hydrogen In methanol at 99.84℃; under 750.075 Torr; for 12h; Microreactor; chemoselective reaction;	100 %Chromat.

: (5-benzyloxy-pentyloxy)-tert-butyl-dimethyl-silane

: 111-29-5
1 ,5-pentanediol

Conditions

Conditions	Yield
With hydrogen; palladium dihydroxide In methanol under 760 Torr; for 2h; Ambient temperature;	91%

: 97-99-4
Tetrahydrofurfuryl alcohol

: 111-29-5
1 ,5-pentanediol

Conditions

Conditions	Yield
With hydrogen In water at 100℃; under 60006 Torr; for 24h; Temperature; Reagent/catalyst; Pressure; Time;	90.2%
With hydrogen In ethylenediamine at 100℃; under 60006 Torr; for 2h; Reagent/catalyst; Solvent; Temperature;	64.6%
With hydrogen at 285℃; under 112511 - 187519 Torr; for 5h; Reagent/catalyst; Temperature; Pressure; Time; Concentration; Inert atmosphere; Autoclave;	57%

: 1-tert-butyldimethylsilyloxy-5-triethylsilyloxypentane

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

B: 83067-20-3
5-(tert-butyldimethyl-silyloxy)pentan-1-ol

Conditions

Conditions	Yield
With MCM-41 In methanol for 4h; Ambient temperature;	A 2% B 90%
With mesoporous silica MCM-41 In methanol at 20℃; for 4h;	A 2% B 90%

: 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

: 112906-40-8
tert-butyldimethyl[5-(tetrahydropyran-2-yloxy)pentyloxy]silane

: 111-29-5
1 ,5-pentanediol

Conditions

Conditions	Yield
With phosphomolybdic acid hydrate; silica gel In acetonitrile at 20℃; for 0.416667h;	89%

: 110-87-2
3,4-dihydro-2H-pyran

: 111-29-5
1 ,5-pentanediol

Conditions

Conditions	Yield
With titanium(III)-tris-(tetrahydridoborate) In dichloromethane at -20℃; for 6h;	87%
With chloro-trimethyl-silane; Benzyltriethylammonium borohydride; oxygen In dichloromethane at 0℃; for 8h;	74%
Stage #1: 3,4-dihydro-2H-pyran With water at 70℃; for 12h; Stage #2: With Ni-Mo/SiO2; hydrogen In water at 120℃; under 49130.4 Torr; for 1h; Reagent/catalyst; Solvent; Pressure;
Stage #1: 3,4-dihydro-2H-pyran With hydrogen at 70℃; under 25858.1 Torr; Stage #2: under 25858.1 Torr;

: tert-butyl-(5-methoxymethoxy-pentyloxy)-dimethyl-silane

: 111-29-5
1 ,5-pentanediol

Conditions

Conditions	Yield
bismuth(lll) trifluoromethanesulfonate In tetrahydrofuran; water at 20℃; for 0.666667h;	86%
With niobium pentachloride In acetonitrile at 0 - 20℃; for 1h;	70%

: (5-benzyloxy-pentyloxy)-tert-butyl-dimethyl-silane

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

B: 83067-20-3
5-(tert-butyldimethyl-silyloxy)pentan-1-ol

Conditions

Conditions	Yield
With Ti-HMS; hydrogen; 5% Pd on active carbon In methanol under 760 Torr; for 4h; Ambient temperature;	A 15% B 82%

: 126889-45-0
1-(tert-Butyl-dimethyl-silanyloxy)-5-(diethyl-isopropyl-silanyloxy)-pentane

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

B: 83067-20-3
5-(tert-butyldimethyl-silyloxy)pentan-1-ol

C: 126889-49-4
5-(Diethyl-isopropyl-silanyloxy)-pentan-1-ol

Conditions

Conditions	Yield
With acetic acid In tetrahydrofuran at 26℃; for 1.33333h; Product distribution; other mono-diethylisopropysilyl protected diols investigated;	A 5% B 81% C 1.3%
With hydrogen; palladium dihydroxide In methanol at 40℃; for 1h;	A 15% B 71% C 12%

...Expand

: 14273-92-8
methyl 5-hydroxypentanoate

: 111-29-5
1 ,5-pentanediol

Conditions

Conditions	Yield
With trimethoxysilane; lithium methanolate In tetrahydrofuran for 27h; Heating;	80%

: 126889-47-2
1-(Diethyl-isopropyl-silanyloxy)-5-triethylsilanyloxy-pentane

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

B: 126889-49-4
5-(Diethyl-isopropyl-silanyloxy)-pentan-1-ol

C: 126889-48-3
5-Triethylsilanyloxy-pentan-1-ol

Conditions

Conditions	Yield
With acetic acid In tetrahydrofuran at 26℃; for 0.833333h;	A 9% B 75% C 1.3%
With acetic acid In tetrahydrofuran at 26℃; for 0.833333h; Product distribution; other mono-diethylisopropysilyl protected diols investigated;	A 9% B 75% C 1.3%

...Expand

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

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

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

C: 109-66-0
pentane

Conditions

Conditions	Yield
With hydrogen; (acetylacetonato)dicarbonylrhodium (l); molybdenum hexacarbonyl In 1,4-dioxane at 150℃; under 75007.5 Torr; for 3h;	A 75% B 19% C 6%

...Expand

: 76102-74-4
5-(tetrahydro-2H-pyran-2-yloxy)pentan-1-ol

: 111-29-5
1 ,5-pentanediol

Conditions

Conditions	Yield
With water; β‐cyclodextrin In methanol at 50℃; for 10h;	75%

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

: 124-04-9
Adipic acid

: 110-15-6
succinic acid

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

B: 110-63-4
Butane-1,4-diol

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

Conditions

Conditions	Yield
With hydrogen; nitric acid; Ru-Sn-Re catalyst In water at 180℃; under 15001.5 - 112511 Torr; for 18h;	A 73% B 45 - 75 %Chromat. C 72%

...Expand

: 6963-44-6
1,5-diacetoxypentane

: 111-29-5
1 ,5-pentanediol

Conditions

Conditions	Yield
With methanol; [Dy2((2-hydroxy-3-methoxyphenyl)methylene benzohydrazide)2(triflate)2(H2O)4] for 96h; Reflux; Inert atmosphere; chemoselective reaction;	73%

: 54494-06-3
n-Pentan-1,5-di-(ol-trimethylsilylaether)

: 111-29-5
1 ,5-pentanediol

Conditions

Conditions	Yield
With Kaolinitic clay; water for 0.0166667h; Irradiation; microwave;	72%

: 25073-26-1
(E)-pent-2-ene-1,5-diol

: 201230-82-2
carbon monoxide

A: 694-54-2
tetrahydro-2H-2-pyranol

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

C: 123703-40-2
2,3,3aβ,4,5,6aβ-perhydrofuro<2,3b>furan

D: 3-hydroxymethyltetrahydropyran-2-ol

Conditions

Conditions	Yield
With chloro(1,5-cyclooctadiene)rhodium(I) dimer; hydrogen; triphenylphosphine In dichloromethane at 120℃; under 45003.6 Torr; for 20h; Product distribution; Further Variations:; Reagents; Solvents;	A n/a B n/a C 72% D n/a

...Expand

: 98-01-1
furfural

: 111-29-5
1 ,5-pentanediol

Conditions

Conditions	Yield
Stage #1: furfural With hydrogen In water at 39.84℃; under 45004.5 Torr; for 8h; Stage #2: In water at 99.84℃; for 72h; Reagent/catalyst; Time; Temperature; Pressure;	71.4%
With ethanol; platinum; iron(II) chloride under 760 - 1520 Torr; Hydrogenation;
With nickel at 200 - 220℃; under 29420.3 Torr; Hydrogenation;

: 98-01-1
furfural

A: 97-99-4
Tetrahydrofurfuryl alcohol

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

C: 6032-29-7
(+/-)-2-pentanol

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

Conditions

Conditions	Yield
With hydrogen In isopropyl alcohol at 150℃; under 30003 Torr; for 8h; Temperature; Pressure; Autoclave;	A 68.7% B 24.2% C n/a D n/a

...Expand

: 111-24-0
1,5-dibromo-pentane

: 105-53-3
diethyl malonate

A: 142-68-7
TETRAHYDROPYRANE

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

C: 1139-13-5
diethyl cyclohexane-1,1-dicarboxylate

Conditions

Conditions	Yield
With tetraethylammonium perchlorate In N,N-dimethyl-formamide electrolysis;	A n/a B n/a C 64%

...Expand

: benzoic acid 5-acetoxy-pentyl ester

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

B: 55162-82-8
1-benzoyloxypentan-5-ol

C: 68750-23-2
5-acetoxy-1-pentanol

Conditions

Conditions	Yield
With tris(2,4,6-trimethoxyphenyl)phosphine In methanol at 80℃; for 8h;	A 10% B 62% C 4%

...Expand

: 98-01-1
furfural

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

B: 5343-92-0
1,2-pentanediol

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

Conditions

Conditions	Yield
Stage #1: furfural With 0.5% Pd/C; hydrogen; acetic acid; scandium tris(trifluoromethanesulfonate) at 100℃; under 7600.51 Torr; for 6h; Autoclave; Stage #2: With methanol; water Reagent/catalyst; Temperature; Pressure; Reflux;	A 14% B 23% C 62%

...Expand

: 110-87-2
3,4-dihydro-2H-pyran

A: 142-68-7
TETRAHYDROPYRANE

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

Conditions

Conditions	Yield
With hydrogen at 100℃; under 25858.1 Torr; for 2h;	A 61.6% B 43.4%
With hydrogen at 100℃; under 25858.1 Torr; for 2h;	A 39.8% B 57.7%

: 111-29-5
1 ,5-pentanediol

: 142-68-7
TETRAHYDROPYRANE

Conditions

Conditions	Yield
methyltin(IV) trichloride at 95 - 115℃; for 0.28h;	100%
methyltin(IV) trichloride at 95 - 115℃; for 0.28h; Mechanism; variation of catalyst, temperature, time;	100%
With copper(ll) bromide at 175℃; for 3h; Catalytic behavior; Reagent/catalyst; Temperature; Inert atmosphere; Sealed tube;	99%

: 111-29-5
1 ,5-pentanediol

: 140-10-3
(E)-3-phenylacrylic acid

: 111917-09-0
Cinnamic acid 1,5-pentane diol monoester

Conditions

Conditions	Yield
With sulfuric acid In toluene Heating;	100%

: 111-29-5
1 ,5-pentanediol

: 18162-48-6
tert-butyldimethylsilyl chloride

: 83067-20-3
5-(tert-butyldimethyl-silyloxy)pentan-1-ol

Conditions

Conditions	Yield
Stage #1: 1 ,5-pentanediol With n-butyllithium In tetrahydrofuran; hexane at -78℃; for 0.5h; Inert atmosphere; Stage #2: tert-butyldimethylsilyl chloride In tetrahydrofuran; hexane at -78 - 23℃; for 3.16667h; Inert atmosphere;	100%
With sodium hydride In tetrahydrofuran at 20℃; for 0.75h;	99%
With 1H-imidazole In dichloromethane at 0 - 20℃; for 13.5h; Inert atmosphere;	99%

: 111-29-5
1 ,5-pentanediol

: 824-94-2
p-methoxybenzyl chloride

: 131375-63-8
5-(4-methoxybenzyloxy)-1-pentanol

Conditions

Conditions	Yield
Stage #1: 1 ,5-pentanediol With sodium hydride In tetrahydrofuran; mineral oil at 0℃; for 3h; Inert atmosphere; Reflux; Stage #2: p-methoxybenzyl chloride With tetra-(n-butyl)ammonium iodide In tetrahydrofuran; mineral oil at 20℃; for 12h; Inert atmosphere; Reflux;	100%
Stage #1: 1 ,5-pentanediol With sodium hydride In tetrahydrofuran for 3h; Heating; Stage #2: p-methoxybenzyl chloride With tetra-(n-butyl)ammonium iodide In tetrahydrofuran for 15h;	99%
Stage #1: 1 ,5-pentanediol With sodium hydride In tetrahydrofuran; mineral oil at 0℃; for 4.5h; Reflux; Stage #2: p-methoxybenzyl chloride With tetra-(n-butyl)ammonium iodide In tetrahydrofuran; mineral oil for 17h; Reflux;	97%

: 111-29-5
1 ,5-pentanediol

: 1609-92-3
(Z)-3-bromoacrylic acid

: 289030-86-0
(Z)-3-Bromo-acrylic acid 5-((Z)-3-bromo-acryloyloxy)-pentyl ester

Conditions

Conditions	Yield
With dmap; dicyclohexyl-carbodiimide Condensation;	100%

: 111-29-5
1 ,5-pentanediol

: 68034-75-3
3-(3-iodophenyl)propanoic acid

: C23H26I2O4

Conditions

Conditions	Yield
With dmap; diisopropyl-carbodiimide In dichloromethane	100%

: 111-29-5
1 ,5-pentanediol

: 13154-24-0
triisopropylsilyl chloride

: 226950-27-2
5-((triisopropylsilanyl)oxy)pentan-1-ol

Conditions

Conditions	Yield
Stage #1: 1 ,5-pentanediol With sodium hydride In tetrahydrofuran; mineral oil at 20℃; for 1h; Inert atmosphere; Cooling with ice; Stage #2: triisopropylsilyl chloride In tetrahydrofuran at 20℃; for 2h; Inert atmosphere;	99.6%
Stage #1: 1 ,5-pentanediol With sodium hydride In tetrahydrofuran at 20℃; for 0.5h; Stage #2: triisopropylsilyl chloride In tetrahydrofuran at 0℃; for 0.666667h;	76%
With 1H-imidazole In N,N-dimethyl-formamide at 0℃; for 5h;	74%

: 111-29-5
1 ,5-pentanediol

: 124-63-0
methanesulfonyl chloride

: 2374-22-3
pentane-1,5-diyl dimethanesulfonate

Conditions

Conditions	Yield
With triethylamine In dichloromethane at 0 - 20℃; for 2h;	99%
With pyridine
With triethylamine In dichloromethane at 0 - 20℃;
With TEA In dichloromethane at 0 - 10℃;

: 111-29-5
1 ,5-pentanediol

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

Conditions

Conditions	Yield
With sodium hypochlorite; sodium hydrogencarbonate; potassium bromide In dichloromethane at 0℃; for 0.5h; chemoselective reaction;	99%
With sodium bromite In water; acetic acid for 10h; Ambient temperature;	98%
With 4-hydroxy-TEMPO benzoate; sodium bromide In dichloromethane; water NaHCO3-buffered at pH 8.6; electrolysis;	97%

: 111-29-5
1 ,5-pentanediol

: 104-94-9
4-methoxy-aniline

: 5097-25-6
N-(4-methoxylphenyl)piperidine

Conditions

Conditions	Yield
With 2,2,2-trifluoroethanol; chloro-(pentamethylcyclopentadienyl)-{5-methoxy-2-{1-[(4-methoxyphenyl)imino-N]ethyl}phenyl-C}-iridium(lll); potassium carbonate at 100℃; for 24h; Inert atmosphere; Sealed tube;	99%
With [RuCl(p-cymene)(1,3-dibenzylbenzimidazolin-2-ylidene)(PPh3)]PF6 In neat (no solvent) at 150℃; for 24h;	98%
With tris(triphenylphosphine)ruthenium(II) chloride In 1,4-dioxane at 150℃; for 5h;	76%
With Knoelker’s complex; silver fluoride In toluene at 110℃; for 24h; Inert atmosphere; Sealed tube;	61%
With iron(III) chloride hexahydrate In tetrachloromethane at 160 - 180℃; Autoclave; Inert atmosphere;	5%

: 111-29-5
1 ,5-pentanediol

: 76-83-5
trityl chloride

: 147726-64-5
5-[(triphenylmethyl)oxy]pentanol

Conditions

Conditions	Yield
With triethylamine In ethyl acetate at 85℃; for 3h;	99%
With triethylamine In ethyl acetate at 85℃; for 3h;	99%
With triethylamine In dichloromethane at 0℃; for 1h;	96%

: 111-29-5
1 ,5-pentanediol

: [Ti(N-phenylsalicylideneimine(-H))2(O-i-Pr)2]

: 943433-28-1
[Ti(N-phenylsalicylideneimine(-H))2(O(CH2)5O)]

Conditions

Conditions	Yield
In benzene byproducts: (CH3)2CHOH; under unhydrous atm., soln. of ligand added to soln. of Ti compd. (3.06:3.01), refluxed, monitored by isopropanol liberated; concd., crystd., elem. anal.;	99%

: 86-98-6
4,7-dichloroquinoline

: 111-29-5
1 ,5-pentanediol

: 1033132-57-8
O-(7-chloro-4-quinolyl)-1,5-pentanediol

Conditions

Conditions	Yield
With potassium tert-butylate In tert-butyl alcohol at 80℃; for 18h; Inert atmosphere;	99%

: 111-29-5
1 ,5-pentanediol

: 76-83-5
trityl chloride

: C43H40O2

Conditions

Conditions	Yield
With iron(III) chloride; 1-(n-butyl)-3-methylimidazolium triflate at 40℃; for 4.25h; Ionic liquid;	99%

: 111-29-5
1 ,5-pentanediol

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

Conditions

Conditions	Yield
With C24H33IrN4O3; water; sodium hydroxide for 18h; Catalytic behavior; Reagent/catalyst; Reflux;	98%
In water for 48h; Ambient temperature; Gluconobacter roseus IAM 1841;	97%
With sodium hydroxide In water at 20℃; Temperature; Concentration; Electrochemical reaction;	91%

: 111-29-5
1 ,5-pentanediol

: 108-24-7
acetic anhydride

: 6963-44-6
1,5-diacetoxypentane

Conditions

Conditions	Yield
With iodine at 25℃; for 0.0166667h;	98%
With iron(III) p-toluenesulfonate hexahydrate In neat (no solvent) at 0℃; for 2h;	96%
With nickel dichloride at 20℃; for 0.5h; Neat (no solvent);	95%

: 111-29-5
1 ,5-pentanediol

: 100-39-0
benzyl bromide

: 4541-15-5
5-(benzyloxy)-1-pentanol

Conditions

Conditions	Yield
Stage #1: 1 ,5-pentanediol With sodium hydride In tetrahydrofuran at 0℃; for 0.5h; Stage #2: benzyl bromide In tetrahydrofuran at 20℃; for 20h; Further stages.;	98%
Stage #1: 1 ,5-pentanediol With sodium hydride In tetrahydrofuran; mineral oil at 0℃; for 0.5h; Inert atmosphere; Stage #2: benzyl bromide In tetrahydrofuran; mineral oil at 0 - 20℃; for 20h; Inert atmosphere;	98%
With sodium hydride In tetrahydrofuran at 20℃; for 5h;	92%

: 111-29-5
1 ,5-pentanediol

: 98-88-4
benzoyl chloride

: 55162-82-8
1-benzoyloxypentan-5-ol

Conditions

Conditions	Yield
With pyridine In tetrahydrofuran at 0℃; for 2h;	98%
With triethylamine In dichloromethane at 0 - 20℃; for 12h;	85%
With sodium hydride In tetrahydrofuran at 20℃; for 5h;	78%

: 111-29-5
1 ,5-pentanediol

: [(CH3COCHCOCH3)2Al(μ-OCH(CH3)2)2Al(OCH(CH3)2)2]

: 163462-33-7
[Al2(OCH(CH3)2)2(CH3COCHCOCH3)2(O(CH2)5O)]2

Conditions

Conditions	Yield
In benzene byproducts: i-PrPH; moisture free; refluxing; solvent removal; elem. anal.;	98%

: 7719-09-7
thionyl chloride

: 111-29-5
1 ,5-pentanediol

: [(C5H5)TiCl(C5H4C(CH3)2CH2CO2)]*0.5C7H8

: 864767-16-8
[(C5H5)TiCl2(C5H4C(CH3)2CH2C(O)O(CH2)3)]2

Conditions

Conditions	Yield
With NaH In dichloromethane Ti complex was reacted with SOCl2 at room temp. for 1 h; heated at 50°C for 2 h in vac.; dissolved in CH2Cl2; transferred to mixt. of NaHand alcohol in CH2Cl2; stirred at room temp. for 16 h; filtered through Celite; crystd. (CH2Cl2/pentane);	98%

...Expand

: 111-29-5
1 ,5-pentanediol

: 76016-71-2
3-phenyl-4-benzenesulfonylfuroxan

: 1226460-46-3
5-(3-phenylfuroxan-4-yloxy)pentan-1-ol

Conditions

Conditions	Yield
With sodium hydroxide In tetrahydrofuran for 0.5h;	98%

: 111-29-5
1 ,5-pentanediol

: 628-76-2
1,5-dichloropentane

Conditions

Conditions	Yield
With hydrogenchloride; ammonium chloride In water at 60 - 100℃; for 3h;	97.8%
With hydrogenchloride at 80℃; for 48h;	59%
With tetrachloromethane; phosphorus pentachloride
With hydrogenchloride; water at 170℃;
With pyridine; thionyl chloride

: 111-29-5
1 ,5-pentanediol

: 766-77-8
Dimethylphenylsilane

: C21H32O2Si2

Conditions

Conditions	Yield
With air; hydrido(triphenylphosphine)copper(I) hexamer In benzene for 5h; Ambient temperature;	97%

: 111-29-5
1 ,5-pentanediol

: 38261-81-3
(S)-2-methylbutyl tosylate

: 863989-56-4
(S)-5-(2-methylbutoxy)pentan-1-ol

Conditions

Conditions	Yield
Stage #1: 1 ,5-pentanediol With sodium In tetrahydrofuran at 20℃; Stage #2: (S)-2-methylbutyl tosylate In tetrahydrofuran at 70 - 80℃;	97%
Stage #1: 1 ,5-pentanediol With sodium In tetrahydrofuran at 20℃; Stage #2: (S)-2-methylbutyl tosylate In tetrahydrofuran at 70 - 80℃;	85%

: 111-29-5
1 ,5-pentanediol

: 75-20-7
calcium carbide

: 693-63-0
1,5-bis(vinyloxy)pentane

Conditions

Conditions	Yield
With caesium carbonate In water; dimethyl sulfoxide at 120℃; for 8h; Time; Reagent/catalyst; Inert atmosphere; Green chemistry;	97%

: 111-29-5
1 ,5-pentanediol

: p-(benzyloxyterephthaloyloxy)benzoyl chloride

: 1,5-bis<(p-benzyloxyterephthaloyloxy)benzoyl>pentane

Conditions

Conditions	Yield
With pyridine In 1,4-dioxane Heating;	96.3%

1,5-Pentanediol Consensus Reports

1,5-PENTANEDIOL is reported in EPA TSCA Inventory.

1,5-Pentanediol Specification

1. Introduction of 1,5-Pentanediol
1,5-Pentanediol with the CAS registry number of 111-29-5, is also named as 1,5-Dihydroxypentane. The product's categories are Alpha,omega-Alkanediols; Alpha,omega-Bifunctional Alkanes; Monofunctional & Alpha,omega-Bifunctional Alkanes. Besides, it is clear colorless oily liquid, which should be stored in tightly closed containers in a cool, dry place away from sources of ignition. When you are using this chemical, please avoid contact with skin and eyes. In addition, its molecular formula is C₅H₁₂O₂ and molecular weight is 104.15.

2. Properties of 1,5-Pentanediol
The other characteristics of 1,5-Pentanediol can be summarized as: (1)EINECS: 203-854-4; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 11.833; (6)ACD/KOC (pH 7.4): 11.833; (7)#H bond acceptors: 2; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 6; (10)Index of Refraction: 1.446; (11)Molar Refractivity: 28.283 cm³; (12)Molar Volume: 106.081 cm³; (13)Surface Tension: 38.673 dyne/cm; (14)Density: 0.982 g/cm³; (15)Flash Point: 129.444 °C; (16)Melting Point: -18 °C; (17)Enthalpy of Vaporization: 55.306 kJ/mol; (18)Boiling Point: 238.999 °C at 760 mmHg; (19)Vapour Pressure: 0.007 mmHg at 25 °C.

3. Structure Descriptors of 1,5-Pentanediol
(1)SMILES: C(CCO)CCO
(2)InChI: InChI=1/C5H12O2/c6-4-2-1-3-5-7/h6-7H,1-5H2
(3)InChIKey: ALQSHHUCVQOPAS-UHFFFAOYAE

4. Toxicity of 1,5-Pentanediol

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
guinea pig	LD50	oral	4600mg/kg (4600mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: EXCITEMENT BEHAVIORAL: MUSCLE WEAKNESS	Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 38(9), Pg. 14, 1973.
mouse	LD50	intraperitoneal	2250mg/kg (2250mg/kg)		Toxicology and Applied Pharmacology. Vol. 49, Pg. 385, 1979.
mouse	LD50	oral	6300mg/kg (6300mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: EXCITEMENT BEHAVIORAL: MUSCLE WEAKNESS	Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 38(9), Pg. 14, 1973.
rabbit	LD50	oral	6300mg/kg (6300mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: EXCITEMENT BEHAVIORAL: MUSCLE WEAKNESS	Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 38(9), Pg. 14, 1973.
rabbit	LD50	skin	> 20mL/kg (20mL/kg)		Union Carbide Data Sheet. Vol. 5/22/1959,
rat	LD50	oral	2gm/kg (2000mg/kg)		Journal of Agricultural and Food Chemistry. Vol. 23, Pg. 418, 1975.

5. Preparation of 1,5-Pentanediol
1,5-Pentanediol can be prepared by hydrogenation of Glutaric acid and its derivatives. It also can be produced by Pentanedioic acid diethyl ester.

This reaction needs LiAlH₄. The yield is 61 %.

6. Use of 1,5-Pentanediol
1,5-Pentanediol can be used as plasticizer. It also can form polyesters that are used as emulsifying agents and resin intermediates. Similarly, it can react with 3,4-Dihydro-2H-pyran to get 5-Tetrahydropyran-2-yloxy-pentan-1-ol.

Product Name

1,5-Pentanediol

Synthetic route

1,5-Pentanediol Consensus Reports

1,5-Pentanediol Specification

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