Results for:
PubChem ID: 7211

2-ethylhexane-1,3-diol

Mass-Spectra

Compound Details

Synonymous names
2-ETHYL-1,3-HEXANEDIOL
94-96-2
Ethohexadiol
2-Ethylhexane-1,3-diol
Ethyl hexanediol
1,3-Hexanediol, 2-ethyl-
Octylene glycol
Repellent 612
etohexadiol
Carbide 6-12
Ethylhexylene glycol
Rutgers 612
6-12 insect repellent
6-12-Insect repellent
Diol-Kyowa 8
2-Ethyl-1,3-hexandiol
2-Ethyl-3-propyl-1,3-propanediol
2-Ethyl-1,3-hexylene glycol
3-Hydroxymethyl-n-heptan-4-ol
ENT 375
NSC 3881
Ethyl hexylene glycol
2-Ethylhexanediol-1,3
NSC-3881
M9JGK7U88V
DTXSID4025292
CHEBI:34273
Compound 6-12, insect repellent
MFCD00004578
NCGC00091575-01
Diol-Kyowa 8; Ethohexadiol; NSC 3881
DTXCID405292
Ethohexadiol [USP]
Caswell No. 445
Latka 612 [Czech]
CAS-94-96-2
CCRIS 4034
Compound 6-12 insect repellent
HSDB 1716
Latka 612
EINECS 202-377-9
UNII-M9JGK7U88V
EPA Pesticide Chemical Code 041001
BRN 1735324
AI3-00375
EH diol
ETHOHEXADIOL [MI]
EC 202-377-9
ETHOHEXADIOL [HSDB]
2-ethyl-1,3-hexane diol
2-ethyl-hexane-1,3-diol
Ethyl-1,3-hexane diol-2
SCHEMBL38007
ETHOHEXADIOL [MART.]
4-01-00-02597 (Beilstein Handbook Reference)
ETHOHEXADIOL [WHO-DD]
WLN: QY3&Y2&1Q
ETHYL HEXANEDIOL [INCI]
CHEMBL1451179
NSC3881
Tox21_111152
Tox21_202003
Tox21_303253
AKOS002313502
AKOS016051411
Tox21_111152_1
DB13826
MCULE-4462593004
NCGC00091575-02
NCGC00091575-03
NCGC00256943-01
NCGC00259552-01
AS-80897
2-Ethyl-1,3-hexanediol, analytical standard
E0119
NS00005681
Q992192
SR-01000944444
SR-01000944444-1
(2RS,3RS;2RS,3SR)-2-ETHYLHEXANE-1,3-DIOL
BRD-A55455283-001-01-3
InChI=1/C8H18O2/c1-3-5-8(10)7(4-2)6-9/h7-10H,3-6H2,1-2H
Microorganism:

Yes

IUPAC name2-ethylhexane-1,3-diol
SMILESCCCC(C(CC)CO)O
InchiInChI=1S/C8H18O2/c1-3-5-8(10)7(4-2)6-9/h7-10H,3-6H2,1-2H3
FormulaC8H18O2
PubChem ID7211
Molweight146.23
LogP1.3
Atoms10
Bonds5
H-bond Acceptor2
H-bond Donor2
Chemical Classificationalcohols diols
CHEBI-ID34273
Supernatural-IDSN0337061

mVOC Specific Details

Boiling Point
DegreeReference
244.2 DEG C @ 760 MM HGBudavari, S. (ed.). The Merck Index - Encyclopedia of Chemicals, Drugs and Biologicals. Rahway, NJ: Merck and Co., Inc., 1989., p. 591
Solubility
SOL IN WATER 0.6% WT/WT; SOLUBILITY OF WATER IN ETHOHEXADIOL 10.8% WT/WT; SOL IN ETHANOL, ISOPROPANOL, PROPYLENE GLYCOL, CASTOR OIL
Literature: Budavari, S. (ed.). The Merck Index - Encyclopedia of Chemicals, Drugs and Biologicals. Rahway, NJ: Merck and Co., Inc., 1989., p. 591
Literature: #MISCIBLE WITH CHLOROFORM, DIETHYL ETHER
Literature: Worthing, C. R. (ed.). Pesticide Manual. 6th ed. Worcestershire, England: British Crop Protection Council, l979., p. 247
Vapor Pressure
PressureReference
LESS THAN 0.01 MM HG @ 20 DEG CBudavari, S. (ed.). The Merck Index - Encyclopedia of Chemicals, Drugs and Biologicals. Rahway, NJ: Merck and Co., Inc., 1989., p. 591

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaPseudomonas Fragin/aNAErcolini et al. 2009
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaPseudomonas Fragin/an/ano