Results for:
PubChem ID: 637517

(E)-octadec-9-enoic Acid

Mass-Spectra

Compound Details

Synonymous names
Elaidinsaeure
Elaidinsaure
ZQPPMHVWECSIRJ-MDZDMXLPSA-N
acide elaidique
9-octadecenoicacid
AC1LCUDW
Elaidic acid
delta9-Octadecenoic acid
trans-Elaidic acid
1lfo
Red oil
trans-Oleic acid
9 Octadecenoic Acid
9-octadecenoic acid
9E-octadecenoic acid
Elaidic acid, analytical standard
1fe3
D9-trans-Octadecenoic acid
trans-D9-Octadecenoic acid
9-trans-Octadecenoic acid
AC1Q2VW3
AC1Q5W6X
trans-9-Octadecenoic acid
9-elaidic acid
SCHEMBL1139
SCHEMBL6693
Octadec-9-enoic acid
1749AH
6479AF
Delta(9)-octadecenoic acid
O0010
Octadec-9-enoic acid anion
trans-Octadec-9-enoic acid
CHEMBL460657
DB04224
NSC26988
Oleic acid, tall oil derived
trans-.DELTA.9-Octadecenoic acid
trans-Delta(9)-octadecenoic acid
(9E)-Octadecenoic acid
bmse000643
C01712
HMS3649H19
Oleic acid derived from tall oil fatty acids
(E)-Oleic acid
Canola Fatty Acid 790
cis-9-Octadecenoic Acid, Elainic Acid
DTXSID8058619
LP001795
ST098716
STL282737
CHEBI:27997
CHEBI:36021
L001099
trans-delta(sup 9)-Octadecenoic acid
W-1404
ZINC8217338
AN-19800
CCG-35462
LS-63810
NSC 26988
NSC-26988
Oleic Acid 213 NF
Oleic Acid 221 NF
Oleic Acid 233 LL
Oleic acid, from tall oil fatty acids
WLN: QV8U9-T
(E)-9-Octadecenoic acid
BDBM50250904
LMFA01030073
MFCD00063954
4837010H8C
AI3-15840
C18:1n-9
DB-041119
LS-181026
RTR-002477
ST51037244
TR-002477
(9E)octadec-9-enoic acid
AKOS000278123
I04-1559
J-002839
Q-201508
FT-0631648
FT-0645155
FT-0651079
FT-0673256
UNII-4837010H8C
(E)-octadec-9-enoic acid
I14-44020
EN300-19543
(9E)-octadec-9-enoic acid
112-79-8
9-Octadecenoic acid,(9E)-
trans-.delta.(sup 9)-Octadecenoic acid
2027-47-6
9-Octadecenoic acid, (E)-
C18:1, n-9
EINECS 204-006-6
EINECS 217-977-6
18:1, n-9
9-octadecenoic acid, (9E)-
Oleic acid, technical, 90% 1L
861204-23-1
Elaidic acid, >=99.0% (GC)
MolPort-000-882-023
Oleic Acid, 99% min (animal-origin free, vegetal-derived)
9-Octadecenoic acid, (E)- (9CI)
D89C6CAA-1C31-4C71-BD3B-EA155A22E10C
InChI=1/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9
Microorganism:

Yes

IUPAC name(E)-octadec-9-enoic acid
SMILESCCCCCCCCC=CCCCCCCCC(=O)O
InchiInChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9+
FormulaC18H34O2
PubChem ID637517
Molweight282.468
LogP6.78
Atoms54
Bonds53
H-bond Acceptor2
H-bond Donor1
Chemical ClassificationAcids

mVOC Specific Details

Boiling Point
DegreeReference
360 °CPhysProp
286 deg C at 100 mm HgO'Neil, M.J. (ed.). The Merck Index - An Encyclopedia of Chemicals, Drugs, and Biologicals. Whitehouse Station, NJ: Merck and Co., Inc., 2006., p. 1176
Volatilization
A pKa of 5.02(1) indicates oleic acid will exist almost entirely in the anion form at pH values of 5 to 9 and therefore volatilization from water surfaces is not expected to be an important fate process(2). Oleic acid is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 5.46X10-7 mm Hg(3).
Literature: (1) Riddick JA et al; Organic Solvents 4th ed; NY: Wiley p. 379 (1986) (2) Doucette WJ; pp. 141-188 in Handbook of Property Estimation Methods for Chemicals. Boethling RS, Mackay D, eds. Boca Raton, FL: Lewis Publ (2000) (3) Daubert TE, Danner RP; Physical & Thermodynamic Properties of Pure Chemicals 4 NY: Hemisphere Pub Corp (1989)
Soil Adsorption
The Koc of undissociated oleic acid is estimated as 340,000(SRC), using a log Kow of 7.64(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that oleic acid is expected to be immobile in soil. The pKa of oleic acid is 5.02(4), indicating that this compound will exist almost entirely in anion form in the environment and anions generally do not adsorb more strongly to soils containing organic carbon and clay than their neutral counterparts(5).
Literature: (1) Sangster J; LOGKOW Databank. Sangster Res Lab Montreal Quebec, Canada (1994) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 4-9 (1990) (3) Swann RL et al; Res Rev 85: 17-28 (1983) (4) Riddick JA et al; Organic Solvents 4th ed; NY: Wiley p. 379 (1986) (5) Doucette WJ; pp. 141-188 in Handbook of Property Estimation Methods for Chemicals. Boethling RS, Mackay D, eds. Boca Raton, FL: Lewis Publ (2000)
Vapor Pressure
PressureReference
5.46X10-7 mm Hg at 25 deg CDaubert, T.E., R.P. Danner. Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, D.C.: Taylor and Francis, 1989.

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaMarine Streptomycete (isolate B6007)n/aStritzke et al., 2004
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaMarine Streptomycete (isolate B6007)n/an/a