Results for:
PubChem ID: 7211

2-ethylhexane-1,3-diol

Mass-Spectra

Compound Details

Synonymous names
Ethohexadiol
etohexadiol
Ethylhexylene glycol
RWLALWYNXFYRGW-UHFFFAOYSA-N
Ethyl hexanediol
Octylene glycol
Ethyl hexylene glycol
2-ethylhexanediol
EH diol
AC1Q2UNQ
ethohexadiol(r)
Ethohexadiol [USP]
AC1L1O97
Repellent 612
S173
Diol-Kyowa 8
SCHEMBL38007
NSC3881
Rutgers 612
Latka 612
E0119
CTK3I9637
ENT 375
HSDB 1716
WLN: QY3&Y2&1Q
CCRIS 4034
C14271
NSC 3881
SBB060488
6-12 insect repellent
6-12-Insect repellent
2-Ethylhexanediol-1,3
OR134068
AK116710
DTXSID4025292
OR134067
OR012579
LS-1969
Compound 6-12 insect repellent
CHEMBL1451179
NSC-3881
Carbide 6-12
DSSTox_CID_5292
CHEBI:34273
AN-24302
DSSTox_GSID_25292
KB-23711
ANW-42033
CC-10478
FCH1112885
3-Hydroxymethyl-n-heptan-4-ol
MFCD00004578
C-33909
Caswell No. 445
DSSTox_RID_77729
2-Ethyl-1,3-hexandiol
TR-033135
Compound 6-12, insect repellent
ST50759403
RTR-033135
2-ETHYL-1,3-HEXANEDIOL
AI3-00375
2-Ethylhexane-1,3-diol
ST24022226
I14-0598
AKOS002313502
AKOS016051411
EPA Pesticide Chemical Code 041001
2-Ethyl-1,3-hexylene glycol
BRN 1735324
Latka 612 [Czech]
FT-0612228
94-96-2
2-Ethyl-1,3-hexanediol, analytical standard
Tox21_303253
Tox21_202003
Tox21_111152
Ethyl-1,3-hexane diol-2
2-ethyl-1,3-hexane diol
2-ethyl-hexane-1,3-diol
CAS-94-96-2
2-Ethyl-3-propyl-1,3-propanediol
NCGC00091575-03
1321-34-2
MCULE-4462593004
NCGC00091575-01
NCGC00259552-01
NCGC00256943-01
NCGC00091575-02
EINECS 202-377-9
1,3-Hexanediol, 2-ethyl-
SR-01000944444
Tox21_111152_1
MolPort-000-255-071
SR-01000944444-1
2-Ethyl-1,3-hexanediol, 97%, Mixture of isomers
4-01-00-02597 (Beilstein Handbook Reference)
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
LogP1.16
Atoms28
Bonds27
H-bond Acceptor2
H-bond Donor2
Chemical ClassificationAlcohols

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

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaPseudomonas Fragi 25Pn/aErcolini et al., 2009
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaPseudomonas Fragi 25Pn/an/a