Results for:
PubChem ID: 445639

(Z)-octadec-9-enoic Acid

Mass-Spectra

Compound Details

Synonymous names
Distoline
Elaidoate
Metaupon
Oelsaeure
Oelsauere
OLEICACID
Oleinate
ZQPPMHVWECSIRJ-KTKRTIGZSA-N
9-Octadecenoicacid -,epoxidized,esterwithpropyleneglycol
Elaate
L'Acide oleique
oleate
Pamolyn
Acide oleique
Elaidoic acid
Oleic Acid CCyclodextrin Complex
Sulphurized oleic acid
Elainic acid
oleaic acid
Oleinic acid
Sulfurized oleic acid
Wecoline OO
9-Octadecenoate
cis-Oleate
Elaic acid
Glycon RO
Glycon wo
oleic acid
1gni
1hms
1vyf
2lkk
AC1L9IBL
Edenor ATiO5
Edenor FTiO5
Lunac OA
Red oil
White oleic acid
9-octadecenoic acid
9-octadecylenic acid
9Z-Octadecenoic acid
cis-9-octadecenoate
cis-D9-Octadecenoate
cis-delta9-octadecenoic acid
cis-Oleic acid
Delta9-cis-Octadecenoic acid
Oleic Acid-Water Soluble
9-Octadecenoicacid -,epoxidized,acrylate,isooctylester
9-Octadecenoicacid -,epoxidized,isooctylester
Century cd fatty acid
Extraolein 90
Groco 5l
oleic acid extra pure
Oleic acid, analytical standard
Oleic acid, sulfurized
Z-9-Octadecenoate
9-Octadecenoicacid -,oxidized,sulfonated,sodiumsalts
cis-| currency9-Octadecenoic acid
cis-D9-Octadecenoic acid
Groco 2
Groco 4
Groco 6
Lunac O-CA
Lunac O-LL
Vopcolene 27
2UMI9U37CP
9-cis-Octadecenoic acid
CHEMBL8659
cis-9-Octadecenoic acid
Industrene 104
Industrene 105
Industrene 205
Industrene 206
Lunac O-P
Oleic acid, technical grade
SCHEMBL1138
1g74
cis-Octadec-9-enoate
delta9-cis-Oleic acid
Emersol 213NF
Emersol 214NF
Emersol 233LL
GTPL1054
l'Acide oleique [French]
Octadec-9-enoic acid
Oleic acid, pure
s158
Z-9-Octadecenoic acid
Acide oleique [French]
Emersol 205
Emersol 210
Emersol 211
Emersol 213
Emersol 233
Extra Oleic 80R
Extra Oleic 90
Extra Oleic 99
Extra Olein 80
Extra Olein 90R
NAA 35
NSC9856
Pamolyn 100
Pamolyn 125
PubChem24077
UNII-2UMI9U37CP
18:1Delta9cis
9,10-Octadecenoate
CCRIS 682
cis-.delta.9-Octadecenoate
Emersol 6313NF
HMDB00207
HMDB00573
K 52
O0011
O0180
Oleic acid (natural)
Priolene 6900
Priolene 6906
Priolene 6907
Priolene 6928
Priolene 6930
Priolene 6933
cis-Octadec-9-enoic acid
Emersol 220 White Oleate
Emersol 6321
Emersol 7021
LS-560
Oleine 7503
Pamolyn 100 FGK
RL00518
z-octadeca-9-enoic acid
(9Z)-Octadecenoic acid
9,10-Octadecenoic acid
C00712
cis-.delta.9-Octadecenoic acid
cis-Delta(9)-octadecenoic acid
D 100
D02315
HMS2234O13
HMS3649H21
HSDB 1240
Pamolyn 100 FG
Tego-oleic 130
Wecoline OO (VAN)
(Z)-9-Octadecanoate
9-(Z)-octadecenoate
AK187813
AK396593
BT000399
DNC010898
DTXSID1025809
FEMA Number 2815
LP008724
NSC 9856
NSC-9856
Oleic acid, natural, FCC
SBB058695
CHEBI:16196
DSSTox_CID_5809
Emersol 220 white oleic acid
Emersol 6313 NF
Emersol 6333 NF
K-0971
Oleic acid, European Pharmacopoeia (EP) Reference Standard
Oleic acid, suitable for cell culture, BioReagent
ZINC6845860
(9Z)-9-Octadecenoate
9-Octadecenoic acid, cis-
AN-22719
CC-33313
cis-delta(sup 9)-Octadecenoic acid
DSSTox_GSID_25809
Emersol 221 Low Titer White Oleate
Oleic acid (8CI)
SC-19057
WLN: QV8U9-C
.delta.9-cis-Oleic acid
(9Z)- Octadecenoic acid
(Z)-9-Octadecanoic acid
9-(Z)-octadecenoic acid
BDBM50150484
Caswell No. 619
DSSTox_RID_77930
Hy-phi 1055
Hy-phi 1088
Hy-phi 2066
Hy-phi 2088
Hy-phi 2102
LMFA01030002
MFCD00064242
Oleic acid, certified reference material, TraceCERT(R)
Oleic acid, United States Pharmacopeia (USP) Reference Standard
Wochem no. 320
(Z)-octadec-9-enoate
AI3-01291
C18:1n-9
Oleic acid (NF)
Oleic acid 90-95%
Oleic acid, p.a.
Oleic Acid, pharmaceutical secondary standard; traceable to USP, PhEur
ST24031497
(9Z)-9-Octadecenoic acid
(9Z)octadec-9-enoic acid
AKOS017343225
Emersol 221 low titer white oleic acid
EPA Pesticide Chemical Code 031702
Epitope ID:187036
HSCI1_000362
Oleic acid, technical grade, 90%
BRN 1726542
FEMA No. 2815
MLS001056779
MLS002153498
MLS002454427
neo-Fat 90-04
neo-Fat 92-04
Oleic acid-9,10-t
SMR000326739
(Z)-Octadec-9-enoic acid
9-Octadecenoic acid (Z)-
(9Z)-9-Octadecenoic acid #
C18:1 n-9
Oleic Acid-Water Soluble, powder, BioReagent, suitable for cell culture
REGID_for_CID_445639
Tox21_111086
Tox21_201967
Tox21_303324
(9Z)-octadec-9-enoic acid
112-80-1
18:1 n-9
9-Octadecenoic acid (9Z)-
F0001-0262
(9Z,11E)-Oleic acid
9-Octadecenoic acid (Z)-, sulfurized
cis-.delta.(sup 9)-Octadecenoic acid
D 100 (fatty acid)
Oleic acid, >=93% (GC)
Oleic acid, >=99% (GC)
8046-01-3
9-Octadecenoic acid, (Z)-
NCGC00091119-01
NCGC00091119-02
NCGC00091119-03
NCGC00257233-01
NCGC00259516-01
9-Octadecenoic acid (9Z)-, sulfurized
AB00641912_08
CAS-112-80-1
EINECS 204-007-1
EINECS 270-164-8
17156-84-2
56833-51-3
68412-07-7
68609-92-7
9-octadecenoic acid, (9Z)-
90459-84-0
90459-86-2
99148-48-8
Oleic acid, Selectophore(TM), >=99.0%
949900-16-7
cis-9-Octadecenoic-9,10-3H2 acid
Oleic acid, SAJ first grade, >=70.0%
MolPort-001-788-274
9-Octadecenoic acid (9Z)- (9CI)
Oleic acid, from suet, natural, >=60% (GC)
4-02-00-01641 (Beilstein Handbook Reference)
9-Octadecenoic-9,10-t2 acid, (Z)-
9-Octadecenoic-9,10-t2 acid, (9Z)- (9CI)
459CE4C0-C836-4249-8E2D-69874B714E9C
Oleic acid, meets analytical specification of Ph, Eur., 65.0-88.0% (GC)
Oleic acid compound with (2R,3R,4S)-2-((R)-1,2-dihydroxyethyl)tetrahydrofuran-3,4-diol (1
Microorganism:

Yes

IUPAC name(Z)-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 ID445639
Molweight282.468
LogP6.78
Atoms54
Bonds53
H-bond Acceptor2
H-bond Donor1
Chemical Classificationcarboxylic acids alkenes

mVOC Specific Details

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.
MS-Links
MS-MS Spectrum 201597
MS-MS Spectrum 335 - Quattro_QQQ 25V Positive delivery=Flow_Injection analyzer=Triple_Quad
MS-MS Spectrum 178445
MS-MS Spectrum 201595
MS-MS Spectrum 799 - Quattro_QQQ 40V N/A delivery=Flow_Injection analyzer=Triple_Quad
MS-MS Spectrum 201592
MS-MS Spectrum 797 - Quattro_QQQ 10V N/A delivery=Flow_Injection analyzer=Triple_Quad
MS-MS Spectrum 180762
MS-MS Spectrum 178443
MS-MS Spectrum 178444
MS-MS Spectrum 336 - Quattro_QQQ 40V Positive delivery=Flow_Injection analyzer=Triple_Quad
MS-MS Spectrum 180763
MS-MS Spectrum 180764
MS-MS Spectrum 3613 - EI-B (Unknown) Positive
MS-MS Spectrum 798 - Quattro_QQQ 25V N/A delivery=Flow_Injection analyzer=Triple_Quad
MS-MS Spectrum 201596
MS-MS Spectrum 201591
MS-MS Spectrum 3612 - FAB-EBEB (JMS-HX/HX 110A, JEOL) Negative
MS-MS Spectrum 201593
MS-MS Spectrum 201594
MS-MS Spectrum 334 - Quattro_QQQ 10V Positive delivery=Flow_Injection analyzer=Triple_Quad
MS-Links

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
FungiPleurotus CystidiosusnanaUsami et al., 2014
FungiPleurotus Eryngii Var. TuoliensisnanaUsami et al., 2014
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
FungiPleurotus CystidiosusnaGC/MS, GC-O, AEDANo
FungiPleurotus Eryngii Var. TuoliensisnaGC/MS, GC-O, AEDANo