2-Ethyl-1,3-hexanediol

Base Information Edit

Chemical Name:2-Ethyl-1,3-hexanediol
CAS No.:94-96-2
Deprecated CAS:1321-34-2
Molecular Formula:C8H18O2
Molecular Weight:146.23
Hs Code.:2905.39
European Community (EC) Number:202-377-9
NSC Number:3881
UNII:M9JGK7U88V
DSSTox Substance ID:DTXSID4025292
Nikkaji Number:J4.705H
Wikipedia:Etohexadiol
Wikidata:Q992192
NCI Thesaurus Code:C75642
Metabolomics Workbench ID:154604
ChEMBL ID:CHEMBL1451179
Mol file:94-96-2.mol

Synonyms:2-ethyl-1,3-hexanediol;ethohexadiol;ethohexadiol, (threo)-isomer;ethyl hexanediol

Suppliers and Price of 2-Ethyl-1,3-hexanediol

Supply Marketing:Edit

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
2-Ethyl-1,3-hexanediol
500g
$ 165.00

TCI Chemical
2-Ethyl-1,3-hexanediol (mixture of diastereoisomers)
25mL
$ 20.00

TCI Chemical
2-Ethyl-1,3-hexanediol (mixture of diastereoisomers)
500mL
$ 41.00

Sigma-Aldrich
2-Ethyl-1,3-hexanediol 97%, Mixture of isomers
1kg
$ 106.00

Sigma-Aldrich
2-Ethyl-1,3-hexanediol (mixture of DL-and meso-form) for synthesis. CAS 94-96-2, chemical formula CH CH CH CH(OH)CH(C H )CH OH., (mixture of DL-and meso-form) for synthesis
8200321000
$ 60.90

Sigma-Aldrich
2-Ethyl-1,3-hexanediol 97%, Mixture of isomers
500g
$ 59.00

Sigma-Aldrich
2-Ethyl-1,3-hexanediol (mixture of DL-and meso-form) for synthesis. CAS 94-96-2, chemical formula CH CH CH CH(OH)CH(C H )CH OH., (mixture of DL-and meso-form) for synthesis
8200320100
$ 54.70

Crysdot
2-Ethylhexane-1,3-diol 95+%
100g
$ 50.00

Alfa Aesar
2-Ethylhexane-1,3-diol, 97%
10000ml
$ 549.00

Alfa Aesar
2-Ethylhexane-1,3-diol, 97%
2500ml
$ 178.00

Total 97 raw suppliers

Chemical Property of 2-Ethyl-1,3-hexanediol Edit

Chemical Property:

Appearance/Colour:clear liquid
Vapor Pressure:0.00558mmHg at 25°C
Melting Point:-40 °C
Refractive Index:n20/D 1.451(lit.)
Boiling Point:243 °C at 760 mmHg
PKA:14.85±0.10(Predicted)
Flash Point:129.4 °C
PSA：40.46000
Density:0.935 g/cm³
LogP:1.16590
Storage Temp.:Store below +30°C.
Sensitive.:Hygroscopic
Solubility.:42g/l
Water Solubility.:42 g/L (20 ºC)
XLogP3:1.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:5
Exact Mass:146.130679813
Heavy Atom Count:10
Complexity:73.7

Purity/Quality:

98% ^*data from raw suppliers

2-Ethyl-1,3-hexanediol ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xi
Hazard Codes:Xi
Statements: 41
Safety Statements: 25-26-39-46

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Chemical Classes:Other Classes -> Alcohols and Polyols, Other
Canonical SMILES:CCCC(C(CC)CO)O
Uses Insect repellent, cosmetics, vehicle and solvent in printing inks, medicine, chelating agent for boric acid. 2-Ethyl-1,3-hexanediol (EHD) can be used as:A boron extractant.A reactive solvent in the synthesis of magnetic iron-oxide nanoparticles by non-hydrolytic sol-gel method.A starting material in the selective synthesis of 2-ethyl-1-hydroxy-3-hexanone by oxidation using H2O2. 2-Ethyl-1,3-hexanediol is produced commercially by hydrogenating butyraldol (2-ethyl-3-hydroxycaproaldehyde). It is used largely as an insect repellent but also as a solvent for resins and inks, a plasticizer, and a chemical intermediate in the production of polyurethane resins .
Indications Ethyl hexanediol will not irritate human skin but can cause a chemical conjunctivitis. It is a standard repellent for chiggers, mosquitoes, black flies, and other biting flies and is more useful when combined with dimethyl phthalate and indalone. The mixture of these three chemicals will repel ticks and flies when it is applied to clothing.

Technology Process of 2-Ethyl-1,3-hexanediol

There total 22 articles about 2-Ethyl-1,3-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: 90.0%