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Oleic Acid
CAS: 112-80-1 | C18H34O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
112-80-1
Molecular Formula:
C18H34O2
Molecular Weight:
282.4679999999999 g/mol
Names and Synonyms:
Oleic Acid
Synonym
9-Octadecenoic acid (9Z)-
Synonym
Oleic acid
Synonym
9-Octadecenoic acid (Z)-
Synonym
(9Z)-9-Octadecenoic acid
Synonym
cis-Δ9-Octadecenoic acid
Synonym
cis-9-Octadecenoic acid
Synonym
Vopcolene 27
Synonym
Wecoline OO
Synonym
Δ9-cis-Oleic acid
Synonym
Pamolyn 100
Synonym
Oleine 7503
Synonym
cis-Oleic acid
Synonym
Z-9-Octadecenoic acid
Synonym
Emersol 211
Synonym
9-Octadecenoic acid, (Z)-
Synonym
Δ9-cis-Octadecenoic acid
Synonym
9-cis-Octadecenoic acid
Synonym
Industrene 105
Synonym
C18:1
Synonym
Lunac O-P
Synonym
Lunac O-CA
Synonym
Lunac O-LL
Synonym
Priolene 6930
Synonym
NAA 35
Synonym
Extra Olein 80
Synonym
Neo-Fat 92-04
Synonym
Edenor ATiO5
Synonym
Priolene 6907
Synonym
Edenor FTiO5
Synonym
Emersol 205
Synonym
Extra Oleic 99
Synonym
Emersol 6313NF
Synonym
Emersol 213NF
Synonym
Extra Olein 90R
Synonym
Emersol 214NF
Synonym
Extra Olein 99
Synonym
Extra Oleic 90
Synonym
Extra Oleic 80R
Synonym
D 100
Synonym
Priolene 6933
Synonym
Emersol 233
Synonym
D 100 (fatty acid)
Synonym
Priolene 6928
Synonym
Priolene 6906
Synonym
Lunac OA
Synonym
9Z-Octadecenoic acid
Synonym
NAA 38
Synonym
Priolene 6204
Synonym
Crossential O 94
Synonym
Extra Olein A 1981
Synonym
Lunac O-V
Synonym
B 115
Synonym
Crodacid O-P
Synonym
Clear FRAC EF
Synonym
Extra Olein 90
Synonym
NAA 36
Synonym
NAA 200
Synonym
Lunac O-LL-V
Synonym
Priolene 6936
Synonym
Emersol 622
Synonym
Lunac LO-V
Synonym
C18:1n9c
Synonym
Edenor C 18:1-98-100
Synonym
PM 500
Synonym
PM 810B
Synonym
Extra Olein 80R
Synonym
Palmera A 1813
Synonym
Radiacid 0137
Synonym
Lubolic acid
Synonym
(18,9-Olefin) oleic acid
Synonym
Impex
Synonym
Radiacid 0212
Synonym
Identifiers:
SMILES:
CCCCCCCC/C=CCCCCCCCC(=O)O
InChI:
InChI=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-
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 282.47 g/mol | Legacy Database |
| density | 0.90 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Oleic_acid None | Legacy Database |
| cas-boiling-point | 286 °C @ Press: 100 Torr None | Legacy Database |
| cas-canonical-smile | O=C(O)CCCCCCCC=CCCCCCCCC None | Legacy Database |
| cas-density | 0.895 g/cm3 @ Temp: 25 °C None | Legacy Database |
| cas-inchi | InChI=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- None | Legacy Database |
| cas-inchi-key | InChIKey=ZQPPMHVWECSIRJ-KTKRTIGZSA-N None | Legacy Database |
| cas-melting-point | 16.3 °C None | Legacy Database |
| cas-name | Oleic acid None | Legacy Database |
| wikipedia-name | Oleic acid None | Legacy Database |
| LogP | 6.1085000000000065 | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 15 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 37.3 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 87.08780000000007 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 282.4679999999999 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 282.255880328 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 20 count | RDKit |