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Results for:
PubChem ID: 7720
2-ethylhexan-1-ol
Mass-Spectra
Compound Details
Synonymous names
Ethylhexanol
YIWUKEYIRIRTPP-UHFFFAOYSA-N
2-ethylhexylalcohol
2 Ethylhexanol
2-Aethylhexanol
2-Ethylhexanol
AC1L1PEC
2-Ethylhexyl alcohol
Exxal 8N
2-ETHYL HEXANOL
2-ethyl-hexanol
AC1Q2V9L
AC1Q7BK8
2-ethyl hexyl alcohol
Alcohol, 2-ethylhexyl
KSC175S7B
L260
ACMC-1B65F
ACMC-20msz8
CHEMBL31637
NSC9300
SCHEMBL16324
CTK0H5970
E0122
Ethylhexanol, 2-
2-Aethylhexanol [German]
LS-380
2-ethyl 1-hexanol
2-ETHYL-1-HEXANOL
2-Ethylhexan-1-ol
C02498
CCRIS 2292
DSSTox_CID_605
HMS2268N10
HSDB 1118
AK114196
DTXSID5020605
LP121394
NSC 9300
NSC-9300
OR025415
SBB059906
STL453673
CHEBI:16011
2-Ethyl-1-hexanol, analytical standard
ANW-15107
DSSTox_GSID_20605
TRA0052020
xi-2-Ethyl-1-hexanol
2-Ethyl-hexan-1-ol
DSSTox_RID_75686
LMFA05000703
MFCD00004746
AI3-00940
KB-170355
RTR-001032
ST24040552
ST51046173
TR-001032
AKOS000120105
AKOS016843836
W-109057
BRN 1719280
FEMA No. 3151
FT-0612231
FT-0627437
MLS002415694
SMR000112222
1-Hexanol, 2-ethyl-
I14-17807
Tox21_202071
Tox21_300019
WLN: Q1Y4 & 2
104-76-7
3B1-005666
2-Ethyl-1-hexanol, >=99%
MCULE-1768780358
NCGC00091294-01
NCGC00091294-02
NCGC00091294-03
NCGC00254215-01
NCGC00259620-01
Alcohols, C7-9-branched, C8-rich
CAS-104-76-7
EINECS 203-234-3
EINECS 295-250-2
2-Ethylhexan-1-ol, United States Pharmacopeia (USP) Reference Standard
91994-92-2
111675-57-1
128821-84-1
Alcohols, C7-9-iso-,C8-rich
2-Ethyl-1-hexanol, >=99.6%
MolPort-001-787-201
2-Ethyl-1-hexanol, >=99%, FG
33017-EP2305033A1
33017-EP2311815A1
33017-EP2371805A1
33017-EP2377844A2
2-Ethyl-1-hexanol, 99% 500ml
2-Ethyl-1-hexanol, SAJ first grade, >=99.0%
1-Hexanol, 2-ethyl-, (S)-
4-01-00-01783 (Beilstein Handbook Reference)
1070-10-6 (titanium(4+) salt)
2-Ethyl-1-hexanol, puriss., >=99.0% (GC)
InChI=1/C8H18O/c1-3-5-6-8(4-2)7-9/h8-9H,3-7H2,1-2H
Microorganism:
Yes
IUPAC name
2-ethylhexan-1-ol
SMILES
CCCCC(CC)CO
Inchi
InChI=1S/C8H18O/c1-3-5-6-8(4-2)7-9/h8-9H,3-7H2,1-2H3
Formula
C
8
H
1
8
O
PubChem ID
7720
Molweight
130.231
LogP
2.5
Atoms
27
Bonds
26
H-bond Acceptor
1
H-bond Donor
1
Chemical Classification
Alcohols
mVOC Specific Details
Volatilization
The Henry's Law constant for 2-ethylhexanol is estimated as 2.6X10-5 atm-cu m/mole(SRC) derived from its vapor pressure, 0.136 mm Hg(1), and water solubility, 880 mg/L(2). This Henry's Law constant indicates that 2-ethylhexanol is expected to volatilize from water surfaces(3). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(3) is estimated as 41 hours(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(3) is estimated as 16 days(SRC). 2-Ethylhexanol's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). 2-Ethylhexanol is not expected to volatilize from dry soil surfaces(SRC) based upon its vapor pressure(1).
Literature:
(1) Daubert TE, Danner RP; Data Compilation Tables of Properties of Pure Compounds. New York, NY: Amer Inst for Phys Prop Data (1989) (2) Amidon GL et al; J Pharm Sci 63: 1858-66 (1974) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990)
Soil Adsorption
Using a structure estimation method based on molecular connectivity indices(1), the Koc of 2-ethylhexanol can be estimated to be 35(SRC). According to a classification scheme(2), this estimated Koc value suggests that 2-ethylhexanol is expected to have very high mobility in soil.
Literature:
(1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of Feb 5, 2014: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (2) Swann RL et al; Res Rev 85: 17-28 (1983)
Vapor Pressure
Pressure
Reference
0.136 mm Hg at 25 deg C
Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, DC: Taylor and Francis, 1985
MS-Links
MS-MS Spectrum 45283
MS-MS Spectrum 45284
MS-MS Spectrum 166698
MS-MS Spectrum 166700
MS-MS Spectrum 166699
MS-MS Spectrum 45282
1D-NMR-Links
1D NMR Spectrum 4028
1D NMR Spectrum 3770
Microorganisms emitting the compound
Kingdom
Species
Biological Function
Origin/Habitat
Reference
Bacteria
Carnobacterium Divergens 9P
n/a
Ercolini et al., 2009
Bacteria
Carnobacterium Maltaromaticum
n/a
Ercolini et al., 2009
Bacteria
Pseudomonas Aurantiaca
n/a
Fernando et al., 2005
Bacteria
Pseudomonas Chlororaphis
n/a
Fernando et al., 2005
Bacteria
Pseudomonas Corrugate
n/a
Fernando et al., 2005
Bacteria
Pseudomonas Fluorescens
n/a
Fernando et al., 2005
Bacteria
Serratia Spp. B2675
n/a
Bruce et al., 2004
Bacteria
Serratia Spp. B675
n/a
Bruce et al., 2004
Fungi
Aspergillus Versicolor
Schleibinger et al.,2005
Fungi
Chaetomium Globosum
Schleibinger et al.,2005
Fungi
Eurotium Amstelodami
Schleibinger et al.,2005
Fungi
Fusarium Graminearum 15AcDON
n/a
Busko et al., 2014
Fungi
Fusarium Graminearum 15AcDON 1001ta
n/a
Busko et al., 2014
Fungi
Fusarium Graminearum 15AcDON ZFR 29
n/a
Busko et al., 2014
Fungi
Fusarium Graminearum 15AcDON_4
n/a
Busko et al., 2014
Fungi
Fusarium Graminearum 15AcDON_5
n/a
Busko et al., 2014
Fungi
Fusarium Graminearum 15AcDON_6
n/a
Busko et al., 2014
Fungi
Fusarium Graminearum 15AcDON_7
n/a
Busko et al., 2014
Fungi
Fusarium Graminearum 15AcDON_8
n/a
Busko et al., 2014
Fungi
Fusarium Graminearum 15AcDON_9
n/a
Busko et al., 2014
Fungi
Fusarium Graminearum 3AcDON 1002t
n/a
Busko et al., 2014
Fungi
Fusarium Graminearum 3AcDON 11791
n/a
Busko et al., 2014
Fungi
Fusarium Graminearum 3AcDON 1509
n/a
Busko et al., 2014
Fungi
Fusarium Graminearum 3AcDON 8046
n/a
Busko et al., 2014
Fungi
Fusarium Graminearum 3AcDON NRRL38369
n/a
Busko et al., 2014
Fungi
Fusarium Graminearum 3AcDON NRRL6394
n/a
Busko et al., 2014
Fungi
Fusarium Graminearum 3AcDON ZFR 15
n/a
Busko et al., 2014
Fungi
Fusarium Graminearum 3AcDON ZFR 37
n/a
Busko et al., 2014
Fungi
Fusarium Graminearum 3AcDON ZFR 51
n/a
Busko et al., 2014
Fungi
Fusarium Graminearum NIV
n/a
Busko et al., 2014
Fungi
Fusarium Graminearum NIV 357
n/a
Busko et al., 2014
Fungi
Fusarium Graminearum NIV ZFR 119
n/a
Busko et al., 2014
Fungi
Fusarium Graminearum NIV ZFR 23
n/a
Busko et al., 2014
Fungi
Fusarium Graminearum NIV ZFR 48
n/a
Busko et al., 2014
Fungi
Fusarium Graminearum NIV_5
n/a
Busko et al., 2014
Fungi
Fusarium Graminearum NIV_6
n/a
Busko et al., 2014
Fungi
Fusarium Graminearum NIV_7
n/a
Busko et al., 2014
Fungi
Fusarium Graminearum NIV_8
n/a
Busko et al., 2014
Fungi
Penicillium Brevicompactum
Schleibinger et al.,2005
Fungi
Pleurotus Cystidiosus
na
na
Usami et al., 2014
Fungi
Pleurotus Eryngii Var. Tuoliensis
na
na
Usami et al., 2014
Fungi
Rhizoctonia Solani AG2-2 IIIB
collection of the Sugar Beet Research Institute, Bergen op Zoom, The Netherlands
Cordovez et al. 2017
Fungi
Saccharomyces Cerevisiae Y1001
n/a
Bruce et al., 2004
Fungi
Tuber Aestivum
n/a
Agricultural Centre of Castilla and León Community (Monasterio de la Santa Espina, Valladolid, Spain) and Navaleno (Soria, Spain).
Diaz et al., 2003
Fungi
Tuber Borchii
n/a
Splivallo et al., 2007
Fungi
Tuber Melanosporum
n/a
Agricultural Centre of Castilla and León Community (Monasterio de la Santa Espina, Valladolid, Spain) and Navaleno (Soria, Spain).
Diaz et al., 2003
Bacteria
Azospirillum Brasilense Cd
promotion of performance of Chlorella sorokiniana Shih
culture collection DSMZ 1843
Amavizca et al. 2017
Bacteria
Bacillus Pumilus ES4
promotion of performance of Chlorella sorokiniana Shih
Amavizca et al. 2017
Bacteria
Citrobacter Freundii
American Type Culture Collection
Robacker and Bartelt 1997
Bacteria
Escherichia Coli DH5a
promotion of performance of Chlorella sorokiniana Shih
Amavizca et al. 2017
Bacteria
Klebsiella Pneumoniae
American Type Culture Collection
Robacker and Bartelt 1997
Fungi
Aspergillus Versicolor Tiraboschi
na
damp indoor environments, food products
Sunesson et al., 1995
Method
Kingdom
Species
Growth Medium
Applied Method
Verification
Bacteria
Carnobacterium Divergens 9P
n/a
n/a
Bacteria
Carnobacterium Maltaromaticum
n/a
n/a
Bacteria
Pseudomonas Aurantiaca
n/a
n/a
Bacteria
Pseudomonas Chlororaphis
n/a
n/a
Bacteria
Pseudomonas Corrugate
n/a
n/a
Bacteria
Pseudomonas Fluorescens
n/a
n/a
Bacteria
Serratia Spp. B2675
n/a
n/a
Bacteria
Serratia Spp. B675
n/a
n/a
Fungi
Aspergillus Versicolor
ingrain wallpaper
GC/MS-SIM
Yes
Fungi
Chaetomium Globosum
ingrain wallpaper
GC/MS-SIM
Yes
Fungi
Eurotium Amstelodami
ingrain wallpaper
GC/MS-SIM
Yes
Fungi
Fusarium Graminearum 15AcDON
yeast extract sucrose agar
SPME/GC-MS
Fungi
Fusarium Graminearum 15AcDON 1001ta
yeast extract sucrose agar
SPME/GC-MS
Fungi
Fusarium Graminearum 15AcDON ZFR 29
yeast extract sucrose agar
SPME/GC-MS
Fungi
Fusarium Graminearum 15AcDON_4
yeast extract sucrose agar
SPME/GC-MS
Fungi
Fusarium Graminearum 15AcDON_5
yeast extract sucrose agar
SPME/GC-MS
Fungi
Fusarium Graminearum 15AcDON_6
yeast extract sucrose agar
SPME/GC-MS
Fungi
Fusarium Graminearum 15AcDON_7
yeast extract sucrose agar
SPME/GC-MS
Fungi
Fusarium Graminearum 15AcDON_8
yeast extract sucrose agar
SPME/GC-MS
Fungi
Fusarium Graminearum 15AcDON_9
yeast extract sucrose agar
SPME/GC-MS
Fungi
Fusarium Graminearum 3AcDON 1002t
yeast extract sucrose agar
SPME/GC-MS
Fungi
Fusarium Graminearum 3AcDON 11791
yeast extract sucrose agar
SPME/GC-MS
Fungi
Fusarium Graminearum 3AcDON 1509
yeast extract sucrose agar
SPME/GC-MS
Fungi
Fusarium Graminearum 3AcDON 8046
yeast extract sucrose agar
SPME/GC-MS
Fungi
Fusarium Graminearum 3AcDON NRRL38369
yeast extract sucrose agar
SPME/GC-MS
Fungi
Fusarium Graminearum 3AcDON NRRL6394
yeast extract sucrose agar
SPME/GC-MS
Fungi
Fusarium Graminearum 3AcDON ZFR 15
yeast extract sucrose agar
SPME/GC-MS
Fungi
Fusarium Graminearum 3AcDON ZFR 37
yeast extract sucrose agar
SPME/GC-MS
Fungi
Fusarium Graminearum 3AcDON ZFR 51
yeast extract sucrose agar
SPME/GC-MS
Fungi
Fusarium Graminearum NIV
yeast extract sucrose agar
SPME/GC-MS
Fungi
Fusarium Graminearum NIV 357
yeast extract sucrose agar
SPME/GC-MS
Fungi
Fusarium Graminearum NIV ZFR 119
yeast extract sucrose agar
SPME/GC-MS
Fungi
Fusarium Graminearum NIV ZFR 23
yeast extract sucrose agar
SPME/GC-MS
Fungi
Fusarium Graminearum NIV ZFR 48
yeast extract sucrose agar
SPME/GC-MS
Fungi
Fusarium Graminearum NIV_5
yeast extract sucrose agar
SPME/GC-MS
Fungi
Fusarium Graminearum NIV_6
yeast extract sucrose agar
SPME/GC-MS
Fungi
Fusarium Graminearum NIV_7
yeast extract sucrose agar
SPME/GC-MS
Fungi
Fusarium Graminearum NIV_8
yeast extract sucrose agar
SPME/GC-MS
Fungi
Penicillium Brevicompactum
ingrain wallpaper
GC/MS-SIM
Yes
Fungi
Pleurotus Cystidiosus
na
GC/MS, GC-O, AEDA
No
Fungi
Pleurotus Eryngii Var. Tuoliensis
na
GC/MS, GC-O, AEDA
No
Fungi
Rhizoctonia Solani AG2-2 IIIB
Potato Dextrose Agar9
Tenax TA / TDGC-MS
no
Fungi
Saccharomyces Cerevisiae Y1001
n/a
n/a
Fungi
Tuber Aestivum
n/a
n/a
Fungi
Tuber Borchii
n/a
n/a
Fungi
Tuber Melanosporum
n/a
n/a
Bacteria
Azospirillum Brasilense Cd
TSA
SPME-GC
no
Bacteria
Bacillus Pumilus ES4
TSA
SPME-GC
no
Bacteria
Citrobacter Freundii
tryptic soy broth
SPME, GC-MS
yes
Bacteria
Escherichia Coli DH5a
TSA
SPME-GC
no
Bacteria
Klebsiella Pneumoniae
tryptic soy broth
SPME, GC-MS
yes
Fungi
Aspergillus Versicolor Tiraboschi
MEA
GC/MS