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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
9-Octadecenoic acid (9Z)-
Oleic acid
9-Octadecenoic acid (Z)-
(9Z)-9-Octadecenoic acid
cis-Δ9-Octadecenoic acid
cis-9-Octadecenoic acid
Vopcolene 27
Wecoline OO
Δ9-cis-Oleic acid
Pamolyn 100
Oleine 7503
cis-Oleic acid
Z-9-Octadecenoic acid
Emersol 211
9-Octadecenoic acid, (Z)-
Δ9-cis-Octadecenoic acid
9-cis-Octadecenoic acid
Industrene 105
C18:1
Lunac O-P
Lunac O-CA
Lunac O-LL
Priolene 6930
NAA 35
Extra Olein 80
Neo-Fat 92-04
Edenor ATiO5
Priolene 6907
Edenor FTiO5
Emersol 205
Extra Oleic 99
Emersol 6313NF
Emersol 213NF
Extra Olein 90R
Emersol 214NF
Extra Olein 99
Extra Oleic 90
Extra Oleic 80R
D 100
Priolene 6933
Emersol 233
D 100 (fatty acid)
Priolene 6928
Priolene 6906
Lunac OA
9Z-Octadecenoic acid
NAA 38
Priolene 6204
Crossential O 94
Extra Olein A 1981
Lunac O-V
B 115
Crodacid O-P
Clear FRAC EF
Extra Olein 90
NAA 36
NAA 200
Lunac O-LL-V
Priolene 6936
Emersol 622
Lunac LO-V
C18:1n9c
Edenor C 18:1-98-100
PM 500
PM 810B
Extra Olein 80R
Palmera A 1813
Radiacid 0137
Lubolic acid
(18,9-Olefin) oleic acid
Impex
Radiacid 0212
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
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 |
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 |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 6.1085000000000065 | RDKit |
| 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 |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 87.08780000000007 | RDKit |
