1,5-Hexanediol

Base Information

Chemical Name:1,5-Hexanediol
CAS No.:928-40-5
Molecular Formula:C6H14 O2
Molecular Weight:118.176
Hs Code.:2905399090
European Community (EC) Number:213-171-3
DSSTox Substance ID:DTXSID90870799
Nikkaji Number:J112.130H
Metabolomics Workbench ID:44908
Mol file:928-40-5.mol

Synonyms:1,5-Hexanediol;Hexane-1,5-diol;928-40-5;BRN 1732705;EINECS 213-171-3;AI3-11556;1,5-Hexanediol, 99%;SCHEMBL41064;(+/-)-1,5-Hexanediol;DTXSID90870799;CHEBI:179534;LMFA05000583;MFCD00004563;AT33338;AS-81219;LS-75083;SY224933;3-cyclopentyl-4-nitroisoxazole-5-carboxamide;FT-0690479;FT-0690915;A933906

Suppliers and Price of 1,5-Hexanediol

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
Hexane-2,6-diol
10g
$ 750.00

TRC
Hexane-2,6-diol
5g
$ 400.00

Sigma-Aldrich
1,5-Hexanediol 99%
5g
$ 306.00

Sigma-Aldrich
1,5-Hexanediol 99%
1g
$ 79.70

Matrix Scientific
1,5-Hexanediol 95%
5g
$ 1400.00

AK Scientific
1,5-Hexanediol
5g
$ 1940.00

Total 34 raw suppliers

Chemical Property of 1,5-Hexanediol

Chemical Property:

Vapor Pressure:0.00189mmHg at 25°C
Melting Point:26.38°C (estimate)
Refractive Index:n20/D 1.451(lit.)
Boiling Point:89-91 °C0.5 mm Hg(lit.)
PKA:15.16±0.10(Predicted)
Flash Point:>230 °F
PSA：40.46000
Density:0.981 g/mL at 25 °C(lit.)
LogP:0.52980
Solubility.:Chloroform; Dichloromethane; Ethyl Acetate; Methanol
XLogP3:0.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:118.099379685
Heavy Atom Count:8
Complexity:45.8

Purity/Quality:

99%, ^*data from raw suppliers

Hexane-2,6-diol ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:Xi
Statements: 36/37/38
Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Canonical SMILES:CC(CCCCO)O
Uses Hexane-2,6-diol is an intermediate in the synthesis of (R)-cis-5ξ-Methyl Atracurium Dibesylate (M288320), which is a derivative of Atracurium (A794500) Dibesylate which displays neuromuscular blocking activity.

Technology Process of 1,5-Hexanediol

There total 49 articles about 1,5-Hexanediol which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 81.0%

: 823-22-3,26991-67-3
5-hexanolide

: 928-40-5
hexane-1,5-diol

Guidance literature:: With Cp*RuCl(2-C₅H₄CH₂NH₂); potassium tert-butylate; hydrogen; In isopropyl alcohol; at 100 ℃; for 15h; under 37503.8 Torr; Autoclave;
DOI:10.1021/ja1117254