1,6-Hexanediol supplier | CasNO.629-11-8

Name
1,6-Hexanediol
EINECS 211-074-0
CAS No. 629-11-8
Article Data267
CAS DataBase
Density 0.963 g/cm³
Solubility water: 0.1 g/mL, clear, colorless
Melting Point 38-42 °C(lit.)
Formula C₆H₁₄O₂
Boiling Point 239.7 °C at 760 mmHg
Molecular Weight 118.176
Flash Point 101.7 °C
Transport Information
Appearance white waxy flakes
Safety 36/37-24/25-23
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols
Synonyms hexane-1,6-diol;HDO;4-01-00-02556 (Beilstein Handbook Reference);.omega.-Hexanediol;Hexamethylenediol;alpha,omega-Hexanediol;1,6-Dihydroxyhexane;.alpha.,.omega.-Hexanediol;Hexamethylene Glycol;
PSA 40.46000
LogP 0.53140

Synthetic route

: 124-04-9
Adipic acid

: 629-11-8
1,6-hexanediol

Conditions

Conditions	Yield
With hydrogen In water at 160℃; under 22502.3 Torr; for 18h; Molecular sieve; chemoselective reaction;	100%
With hydrogen In water at 130℃; under 37503.8 Torr; for 18h; Pressure; Reagent/catalyst; Autoclave;	89%
With hydrogen In water at 120℃; under 35409.9 Torr; for 2.5h; Reagent/catalyst; Pressure; Temperature;	88%

: 627-93-0
hexanedioic acid dimethyl ester

: 629-11-8
1,6-hexanediol

Conditions

Conditions	Yield
With ethanol; [bis({2‐[bis(propan‐2‐yl)phosphanyl]ethyl})amine](borohydride)(carbonyl)(hydride)iron(II) at 100℃; for 24h; Inert atmosphere; Sealed tube; Darkness;	99%
With water; hydrogen under 37503.8 Torr;	95%
With hydrogen; copper-comprising catalyst at 195 - 210℃; under 45004.5 Torr; Product distribution / selectivity; Gas phase;	90%

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

: 629-11-8
1,6-hexanediol

Conditions

Conditions	Yield
With C21H35BrMnN2O2P; hydrogen; potassium hydride; 1,3,5-trimethyl-benzene In toluene at 100℃; under 15001.5 Torr; for 36h; Autoclave; Inert atmosphere;	98%
With C21H35BrMnN2O2P; hydrogen; potassium hydride In toluene at 100℃; under 15001.5 Torr; for 36h;	98%
With trimethoxysilane; lithium methanolate In tetrahydrofuran for 0.5h; Ambient temperature;	95%

: 1-triethylsilyloxy-6-[β-(trimethylsilyl)ethoxymethyloxy]hexane

: 629-11-8
1,6-hexanediol

Conditions

Conditions	Yield
With carbon tetrabromide In methanol for 10h; Heating;	98%

: 91988-83-9
6-tert-butoxyhexan-1-ol

: 629-11-8
1,6-hexanediol

Conditions

Conditions	Yield
With sodium iodide; cerium(III) chloride In acetonitrile at 70℃; for 3h;	98%

: 279245-42-0
6-[β-(trimethylsilyl)ethoxymethoxy]hexan-1-ol

: 629-11-8
1,6-hexanediol

Conditions

Conditions	Yield
With magnesium bromide In diethyl ether; nitromethane at 20℃; for 5h; Hydrolysis;	95%

: 1-(tert-butyldimethylsilyloxy)-6-[β-(trimethylsilyl)ethoxymethoxy]hexane

: 629-11-8
1,6-hexanediol

Conditions

Conditions	Yield
With carbon tetrabromide In methanol for 10h; Heating;	95%
With zinc dibromide In methanol; dichloromethane for 10h; Hydrolysis;	72%
Multi-step reaction with 2 steps 1: 99 percent / TBAF / tetrahydrofuran / 1.5 h / 0 °C 2: 95 percent / MgBr2*Et2O / diethyl ether; nitromethane / 5 h / 20 °C View Scheme

: 874796-87-9
1-(tert-butyldimethylsilyloxy)-6-(triethylsilyloxy)-hexane

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

B: 103202-59-1
6-(tert-butyldimethylsilyl)oxyhexan-1-ol

Conditions

Conditions	Yield
With carbonochloridic acid 1-chloro-ethyl ester In methanol at 20℃; for 0.025h; Product distribution; Further Variations:; Reagents;	A 3% B 95%

: 33875-22-8
2-(5-oxopentyl)-1,3-dioxolane

: 629-11-8
1,6-hexanediol

Conditions

Conditions	Yield
With water; hydrogen at 80 - 180℃; under 15001.5 - 30003 Torr; for 4h; Autoclave; Acidic conditions;	95%

: 209973-05-7
N-(6-hydroxyhexyloxy)phthalimide

: 629-11-8
1,6-hexanediol

Conditions

Conditions	Yield
With 2,2'-azobis(isobutyronitrile); tri-n-butyl-tin hydride In benzene for 2h; Heating;	93%

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

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

B: 111-27-3
hexan-1-ol

Conditions

Conditions	Yield
With hydrogen In 1,2-dimethoxyethane at 80℃; under 60006 Torr; for 2h; Reagent/catalyst; Pressure; Solvent; Temperature;	A 92.3% B 8%
With hydrogen; (acetylacetonato)dicarbonylrhodium (l); molybdenum hexacarbonyl In 1,4-dioxane at 150℃; under 75007.5 Torr; for 3h;	A 79% B 7%

: 1-triethylsilyloxy-6-[β-(trimethylsilyl)ethoxymethyloxy]hexane

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

B: 279245-42-0
6-[β-(trimethylsilyl)ethoxymethoxy]hexan-1-ol

Conditions

Conditions	Yield
With carbon tetrabromide In methanol for 1.5h; `; ultrasound irradiation;	A 3% B 91%

: 1-tert-bytyldimethylsilyloxy-6-methoxyethoxymethoxyl-hexane

: 629-11-8
1,6-hexanediol

Conditions

Conditions	Yield
With carbon tetrabromide In methanol for 3h; Heating;	90%

: 1-(tert-butyldiphenylsilyloxy)-6-[β-(trimethylsilyl)ethoxymethoxy]hexane

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

B: 121671-77-0
6-{[tert-butyl(diphenyl)silyl]oxy}hexan-1-ol

Conditions

Conditions	Yield
With carbon tetrabromide In isopropyl alcohol for 1h; Heating;	A 3% B 90%

: C21H28O4

: 629-11-8
1,6-hexanediol

Conditions

Conditions	Yield
With 4,4'-bipyridine; (phthalocyaninato)iron(II); oxygen; 2,3-dicyano-5,6-dichloro-p-benzoquinone In toluene at 80℃; under 3000.3 Torr; for 8h; Autoclave;	90%

: 1361022-69-6
6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexan-1-ol

: 629-11-8
1,6-hexanediol

Conditions

Conditions	Yield
With rose bengal; triethylamine In ethanol at 25℃; for 12h; Schlenk technique; Irradiation;	90%

: 627-93-0
hexanedioic acid dimethyl ester

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

B: 2035-75-8
adipic anhydride

Conditions

Conditions	Yield
With water; hydrogen In methanol under 37503.8 Torr;	A 8.3% B 89.1%

: 1-triisopropylsilyloxy-6-[β-(trimethylsilyl)ethoxymethoxy]hexane

: 629-11-8
1,6-hexanediol

Conditions

Conditions	Yield
With carbon tetrabromide In methanol for 18h; Heating;	89%

: 1-(tert-butyldiphenylsilyloxy)-6-[β-(trimethylsilyl)ethoxymethoxy]hexane

: 629-11-8
1,6-hexanediol

Conditions

Conditions	Yield
With carbon tetrabromide In methanol for 18h; Heating;	88%

: 111-69-3
hexanedinitrile

: 629-11-8
1,6-hexanediol

Conditions

Conditions	Yield
With (carbonyl)(chloro)(hydrido)tris(triphenylphosphine)ruthenium(II); water; hydrogen In 1,4-dioxane at 140℃; under 7500.75 Torr; for 42h; Autoclave;	88%
With formaldehyd; [ruthenium(II)(η6-1-methyl-4-isopropyl-benzene)(chloride)(μ-chloride)]2 In water; toluene at 90℃; for 24h;	83%

: 1,6-di(tert-butyldimethylsilyloxy)hexane

: 629-11-8
1,6-hexanediol

Conditions

Conditions	Yield
With water; lithium chloride In N,N-dimethyl-formamide at 90℃; for 136h; sealed tube;	87%

: 1-tert-bytyldimethylsilyloxy-6-methoxyethoxymethoxyl-hexane

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

B: 103202-59-1
6-(tert-butyldimethylsilyl)oxyhexan-1-ol

Conditions

Conditions	Yield
With carbon tetrabromide In isopropyl alcohol for 3h; Heating;	A 86% B 10%

: 1-(tert-butyldimethylsilyloxy)-6-[β-(trimethylsilyl)ethoxymethoxy]hexane

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

B: 279245-42-0
6-[β-(trimethylsilyl)ethoxymethoxy]hexan-1-ol

Conditions

Conditions	Yield
With carbon tetrabromide In methanol for 1.5h; `; ultrasound irradiation;	A 6% B 86%

: 104-80-3, 1122-89-0, 2144-40-3, 81370-88-9, 81370-89-0
tetrahydrofuran-2,5-dimethanol

: 629-11-8
1,6-hexanediol

Conditions

Conditions	Yield
In water at 120℃; under 7500.75 - 60006 Torr; for 20h; Product distribution / selectivity; Autoclave;	86%
Multi-step reaction with 3 steps 1: hydrogen / water / 21 h / 80 °C / 7500.75 - 60006 Torr / Autoclave 2: trifluorormethanesulfonic acid / sulfolane / 0.5 h / 125 °C 3: hydrogen / water / 4.5 h / 180 °C / 7500.75 - 60006 Torr / Autoclave View Scheme
Multi-step reaction with 3 steps 1: hydrogen / water / 21 h / 120 °C / 7500.75 - 60006 Torr / Autoclave 2: trifluorormethanesulfonic acid / sulfolane / 0.5 h / 125 °C 3: hydrogen / water / 4.5 h / 180 °C / 7500.75 - 60006 Torr / Autoclave View Scheme

: 18105-31-2
Bis(trimethylsilyl) adipate

: 629-11-8
1,6-hexanediol

Conditions

Conditions	Yield
With diisobutylaluminium hydride In hexane at -78℃; for 1h;	85%

: 627-32-7
1-iodopropan-3-ol

: 347885-68-1
4-bromo-1-tosylpiperidine

A: 57186-75-1
1-tosyl-1,2,5,6-tetrahydropyridine

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

C: 4703-22-4
N-tosylpiperidine

D: 1282036-62-7
3-(1-tosylpiperidin-4-yl)propan-1-ol

E: 1,1'-bis-(toluene-4-sulfonyl)-dodecahydro-[4,4']bipyridyl

Conditions

Conditions	Yield
With bis(1,5-cyclooctadiene)nickel(0); zinc; 2,6-bis[(4S,6S)-sec-butyl-2-oxazolin-2-yl]pyridine In N,N-dimethyl acetamide at 25℃; for 12h; Inert atmosphere;	A 8 %Spectr. B 85% C 10 %Spectr. D 17 %Spectr. E 52%

...Expand

: 1-triisopropylsilyloxy-6-[β-(trimethylsilyl)ethoxymethoxy]hexane

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

B: 146952-70-7
6-{[tris(propan-2-yl)silyl]oxy}hexan-1-ol

Conditions

Conditions	Yield
With carbon tetrabromide In isopropyl alcohol for 1h; Heating;	A 10% B 84%

: 627-91-8
adipic acid monomethyl ester

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

B: 4547-43-7
methyl 6-hydroxycaproate

Conditions

Conditions	Yield
With water; Rh6(CO)16*Mo(CO)6 In 1,2-dimethoxyethane at 165℃; under 76000 Torr; for 16h;	A 15% B 83%

: 1-(tert-butyldimethylsilyloxy)-6-(triisopropylsilyloxy)hexane

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

B: 146952-70-7
6-{[tris(propan-2-yl)silyl]oxy}hexan-1-ol

Conditions

Conditions	Yield
With sodium tetrachloroaurate(III) dihydrate In methanol at 20℃; for 2h;	A 7% B 83%

: 4547-43-7
methyl 6-hydroxycaproate

: 629-11-8
1,6-hexanediol

Conditions

Conditions	Yield
Stage #1: methyl 6-hydroxycaproate With phenylsilane; fac-[Mn-(xantphos)(CO)3Br] at 120℃; for 12h; Inert atmosphere; Stage #2: With water; sodium hydroxide In methanol at 20℃; Inert atmosphere;	81%
With trimethoxysilane; lithium methanolate In tetrahydrofuran for 27h; Heating;	63%

: 629-11-8
1,6-hexanediol

: 124-04-9
Adipic acid

Conditions

Conditions	Yield
With dihydrogen peroxide; Na12[WZn3(H2O)2(ZnW9O34)2] at 75℃; for 7h;	100%
With C24H33IrN4O3; water; sodium hydroxide for 18h; Reflux;	97%
With Gluconobacter oxydans DSM 50049 In aq. phosphate buffer at 30℃; pH=4.3-7; Microbiological reaction;	95.5%

: 629-11-8
1,6-hexanediol

: 605-65-2
5-(dimethylamino)naphth-1-ylsulfonyl chloride

: 1034293-27-0
(6-hydroxyhex-1-yl) 5-(dimethylamino)naphthalene-1-sulfonate

Conditions

Conditions	Yield
With pyridine In dichloromethane at 20℃;	100%

: 629-11-8
1,6-hexanediol

: 592-90-5
oxepane

Conditions

Conditions	Yield
With copper(ll) bromide In tetrahydrofuran at 190℃; for 12h; Inert atmosphere; Sealed tube;	99%
Nafion-H at 135℃; for 5h;	72%
With aluminium phosphate aluminium oxide catalyst Heating;	60%

: 629-11-8
1,6-hexanediol

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

Conditions

Conditions	Yield
With 1,1'-bis-(diphenylphosphino)ferrocene; [RhCl2(p-cymene)]2; potassium carbonate In 4-methyl-2-pentanone for 0.5h; Inert atmosphere; Reflux;	99%
With sodium bromite In water; acetic acid for 10h; Ambient temperature;	84%
With barium manganate In acetonitrile at 150℃; for 1h; Microwave irradiation;	84%

: 629-11-8
1,6-hexanediol

: 3555-94-0
isocyanatoethene

: 7439-17-0
1,6-hexanediol bis(N-vinylcarbamate)

Conditions

Conditions	Yield
Stage #1: 1,6-hexanediol With dibutyltin dilaurate In tetrahydrofuran at 2.5 - 20℃; Inert atmosphere; Stage #2: isocyanatoethene In tetrahydrofuran at 0 - 20℃; for 26h; Inert atmosphere;	99%
With pyridine In tetrahydrofuran

: 629-11-8
1,6-hexanediol

: 111-11-5
methyl octanate

: 15805-95-5
1,6-bis-octanoyloxy-hexane

Conditions

Conditions	Yield
1-Hydroxy-3-(isothiocyanato)-tetrabutyldistannoxane In toluene for 10h; Heating;	99%

: 629-11-8
1,6-hexanediol

: 13154-24-0
triisopropylsilyl chloride

: 146952-70-7
6-{[tris(propan-2-yl)silyl]oxy}hexan-1-ol

Conditions

Conditions	Yield
With 1H-imidazole In dichloromethane at 10 - 20℃; for 18h;	99%
With 1H-imidazole; dmap In dichloromethane at 20℃; for 4h; Inert atmosphere;	93%
With dmap; triethylamine In dichloromethane at 20℃;	71%

: 108-31-6
maleic anhydride

: 629-11-8
1,6-hexanediol

: 86367-74-0
(Z)-2-Butenedioic-acid-1,6-hexanediyl-ester

Conditions

Conditions	Yield
In toluene at 60℃;	99%
In toluene at 60℃;	99%

: 629-11-8
1,6-hexanediol

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

: 943433-29-2
[Ti(N-phenylsalicylideneimine(-H))2(O(CH2)6O)]

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%

: 629-11-8
1,6-hexanediol

: 108-94-1
cyclohexanone

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

Conditions

Conditions	Yield
With wild-type cyclohexanone monooxygenase; Thermoanaerobacter ethanolicus In aq. buffer at 30℃; for 48h; Catalytic behavior; Reagent/catalyst; Baeyer-Villiger Ketone Oxidation; Enzymatic reaction;	99%

: 629-11-8
1,6-hexanediol

: 107023-60-9
2-(2-methacryloyloxyethyloxy)ethyl isocyanate

: C24H40N2O10

Conditions

Conditions	Yield
With dibutyltin(II) dilaurate In N,N-dimethyl-formamide at 20℃; for 3h;	99%

: 629-11-8
1,6-hexanediol

: 2009-83-8
6-chloro-1-hexanol

Conditions

Conditions	Yield
With tetrachloromethane; hexacarbonyl molybdenum at 120℃; for 8h;	98%
With 1,3,5-trichloro-2,4,6-triazine In N,N-dimethyl-formamide at -5 - 0℃; for 2h; Solvent; Temperature; Large scale;	95.2%
With hydrogenchloride; copper(l) chloride In toluene at 100℃; for 24h;	66%

: 629-11-8
1,6-hexanediol

: 4286-55-9
1-bromo-6-hexanol

Conditions

Conditions	Yield
With hydrogen bromide In water; toluene for 2h; Heating / reflux;	98%
With hydrogen bromide In water; toluene at 120℃; for 72h;	98%
With hydrogen bromide In benzene Heating;	97%

: 629-11-8
1,6-hexanediol

: 2163-00-0
1,6-dichlorohexane

Conditions

Conditions	Yield
Stage #1: 1,6-hexanediol With N,N-dimethylthiourea In dichloromethane at 20℃; Stage #2: With N-chloro-succinimide In dichloromethane at 20℃; for 1h; Irradiation;	98%
With hydrogenchloride; ammonium chloride In water at 50 - 110℃; for 3h; Reagent/catalyst;	96%
With thionyl chloride; Triphenylphosphine oxide at 20 - 80℃; for 3h;	87%

: 629-11-8
1,6-hexanediol

: 128143-89-5
4'-Chloro-2,2':6',2''-terpyridine

: 1,6-bis(2,2':6',2''-terpyridin-4'-yloxy)hexane

Conditions

Conditions	Yield
Stage #1: 1,6-hexanediol With potassium hydroxide In dimethyl sulfoxide at 80℃; for 0.5h; Stage #2: 4'-Chloro-2,2':6',2''-terpyridine In dimethyl sulfoxide at 60℃; for 4h;	98%
With potassium hydroxide In dimethyl sulfoxide at 70℃; for 4h;	66%
Stage #1: 1,6-hexanediol With potassium hydroxide In dimethyl sulfoxide at 70℃; for 0.5h; Stage #2: 4'-Chloro-2,2':6',2''-terpyridine In dimethyl sulfoxide at 70℃; for 4h;	66%

: 629-11-8
1,6-hexanediol

: 110-15-6
succinic acid

poly(hexamethylene succinate), degree of polymerization > 200, Mn=2.24E4, Mw=3.87E4; monomers: succinic acid; 1,6-hexanediol: poly(hexamethylene succinate), degree of polymerization > 200, Mn=2.24E4, Mw=3.87E4; monomers: succinic acid; 1,6-hexanediol

Conditions

Conditions	Yield
tetrachlorobis(tetrahydrofuran)hafnium(IV) In o-xylene for 24h; Heating;	98%

: 629-11-8
1,6-hexanediol

: 2283-11-6
hexaethylphosphoric triamide

polymer, MP: 248-258 deg C; monomer(s): 1,6-hexanediol; hexaethylphosphorous triamide: polymer, MP: 248-258 deg C; monomer(s): 1,6-hexanediol; hexaethylphosphorous triamide

Conditions

Conditions	Yield
In diethylene glycol dimethyl ether at 100 - 110℃; for 25h;	98%

: 629-11-8
1,6-hexanediol

: 2283-11-6
hexaethylphosphoric triamide

polymer, MP: 274-280 deg C; monomer(s): 1,6-hexanediol; hexaethylphosphorous triamide: polymer, MP: 274-280 deg C; monomer(s): 1,6-hexanediol; hexaethylphosphorous triamide

Conditions

Conditions	Yield
at 80 - 90℃; for 3h;	98%

: 629-11-8
1,6-hexanediol

: 2283-11-6
hexaethylphosphoric triamide

poly(phosphoramidite)? MP: 274-280 deg C; Monomer(s): 1,6-hexanediol; hexaethylphosphorous triamide: poly(phosphoramidite)? MP: 274-280 deg C; Monomer(s): 1,6-hexanediol; hexaethylphosphorous triamide

Conditions

Conditions	Yield
at 80 - 90℃; for 3h;	98%

: 629-11-8
1,6-hexanediol

: 110-15-6
succinic acid

Reaxys ID: 11364960: Reaxys ID: 11364960

Conditions

Conditions	Yield
With molecular sevies 4A; tetrachlorobis(tetrahydrofuran)hafnium(IV) In o-xylene for 24h; Heating / reflux;	98%

: 629-11-8
1,6-hexanediol

: 616-38-6
carbonic acid dimethyl ester

: 6222-20-4
hexane-1,6-diyl dimethyl dicarbonate

Conditions

Conditions	Yield
With dicobalt octacarbonyl at 180℃; for 1h;	98%
With 1,1,1-trioctyl-1-methylphosphonium methylcarbonate at 90℃; for 4h;	78%

: 629-11-8
1,6-hexanediol

: 629-03-8
1 ,6-dibromohexane

Conditions

Conditions	Yield
With N-Bromosuccinimide; triphenylphosphine In dichloromethane at -78 - 20℃; for 12h; Darkness; chemoselective reaction;	97%
With sulfuric acid; hydrogen bromide
With hydrogen bromide folgendes Erhitzen;

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

: 629-11-8
1,6-hexanediol

: 28659-22-5
6-(tetrahydro-2H-pyranyloxy)hexan-1-ol

Conditions

Conditions	Yield
With 1-butyl-3-methylimidazolium hydrogen sulfate In hexane microwave irradiation;	97%
With lanthanum(III) nitrate at 20℃; for 3h;	96%
With sodium hydrogen sulfate In toluene at 20℃; for 5h;	94%

: 629-11-8
1,6-hexanediol

: 111-49-9
hexamethylene imine

Conditions

Conditions	Yield
With ammonia; hydrogen; CuO/ZnO/Al2O3 In tert-butyl alcohol at 230℃; under 26252.1 Torr;	97%

: 629-11-8
1,6-hexanediol

: 1608-26-0
Hexamethylphosphorous triamide

polymer, Mr 5500, MP: 260-275 deg C; monomer(s): 1,6-hexanediol; hexamethylphosphorous triamide: polymer, Mr 5500, MP: 260-275 deg C; monomer(s): 1,6-hexanediol; hexamethylphosphorous triamide

Conditions

Conditions	Yield
In diethylene glycol dimethyl ether at 80 - 90℃; for 4h;	97%

1,6-Hexanediol Consensus Reports

Reported in EPA TSCA Inventory.

1,6-Hexanediol Standards and Recommendations

1,6-HEXANEDIOL (629-11-8): 96.0% min
C6 DIOLS: 99.0% min
ACID NUMBER: 0.1 max (mg KOH/g)
COLOR, APHA: 20 max
WATER: 0.1% MAX

1,6-Hexanediol Specification

Introduction of 1,6-Hexanediol
The 1,6-Hexanediol, with the cas registry number 629-11-8, has the IUPAC name of hexane-1,6-diol. Being a kind of white acicular crystal, it is hygroscopic, and is soluble in water and ethanol while insoluble in benzene. Besides, its product categories are including Industrial/Fine Chemicals; alpha,omega-Alkanediols; alpha,omega-Bifunctional Alkanes; Monofunctional & alpha,omega-Bifunctional Alkanes; Optimization Reagents; Protein Structural Analysis; X-Ray Crystallography. It is widely applied in many ways. It could be used in producing polyurethane, unsaturated polyester, plasticizer, hardening agent of gelatinizing agent, and ameliorant of lubricating oil; It could also be used in producing in pesticide cinerin, organic peroxides, musk, polyvinyl plastics cross-linking agent, and polyether rubber.

The characteristics of this chemical are as follows:
(1)# of Rule of 5 Violations: 0; (2)ACD/LogD (pH 5.5): -0.07; (3)ACD/LogD (pH 7.4): -0.07; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 21.88; (7)ACD/KOC (pH 7.4): 21.88; (8)#H bond acceptors: 2; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 7; (11)Polar Surface Area: 40.46; (12)Index of Refraction: 1.449; (13)Molar Refractivity: 32.91 cm³; (14)Molar Volume: 122.5 cm³; (15)Polarizability: 13.04 ×10^-24 cm³; (16)Surface Tension: 37.9 dyne/cm; (17)Density: 0.963 g/cm³; (18)Flash Point: 101.7 °C; (19)Enthalpy of Vaporization: 55.39 kJ/mol; (20)Boiling Point: 239.7 °C at 760 mmHg; (21)Vapour Pressure: 0.00693 mmHg at 25°C; (22)Exact Mass: 118.09938; (23)MonoIsotopic Mass: 118.09938; (24)Topological Polar Surface Area: 40.5; (25)Heavy Atom Count: 8; (26)Formal Charge: 0; (27)Complexity: 31.5.

Structure Descriptors of 1,6-Hexanediol：
(1)Canonical SMILES: C(CCCO)CCO
(2)InChI: InChI=1S/C6H14O2/c7-5-3-1-2-4-6-8/h7-8H,1-6H2
(3)InChIKey: XXMIOPMDWAUFGU-UHFFFAOYSA-N 5. Preparation of

Toxicity of 1,6-Hexanediol are as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Source
mouse	LD50	intraperitoneal	1738mg/kg (1738mg/kg)	Toxicology and Applied Pharmacology. Vol. 49, Pg. 385, 1979.
rabbit	LD50	skin	> 10gm/kg (10000mg/kg)	Toxicology and Applied Pharmacology. Vol. 28, Pg. 313, 1974.
rat	LD50	oral	3730mg/kg (3730mg/kg)	Toxicology and Applied Pharmacology. Vol. 28, Pg. 313, 1974.

Preparation of 1,6-Hexanediol:
The production method of 1,6-Hexanediol is as below: go through the catalytic reduction of the Dimethyl adipate for synthesis with the existence of Sodium Metal and ethanol to get the products or have the catalytic reduction of 2,4diyne-1,6-diol to get this chemical.

Safety information of 1,6-Hexanediol:
When you are dealing with this chemical, you should be very careful and then take some measures to protect yourself. It is irritating to eyes, respiratory system and skin, so you should wear suitable protective clothing and gloves while using. And then avoid contacting with skin and eyes and remember not to breathe gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer).

Product Name

1,6-Hexanediol

Synthetic route

1,6-Hexanediol Consensus Reports

1,6-Hexanediol Standards and Recommendations

1,6-Hexanediol Specification

Related Products

Hot Products