Home/Chemicals/112-80-1

Chemical substance record

Oleic acid

112-80-1C₁₈H₃₄O₂282.468 g/mol

Organic/Inorganic Small MoleculeChEBI source record

An octadec-9-enoic acid in which the double bond at C-9 has Z (cis) stereochemistry. — ChEBI

Safety references

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Identity & molecular properties

Source-linked values

CAS number	112-80-1	ChEBI ↗
Molecular formula	C₁₈H₃₄O₂	ChEBI ↗
Molar mass	282.468 g/mol	ChEBI ↗
Monoisotopic mass	282.25588 Da	ChEBI ↗
Formal charge	0	ChEBI ↗
ChEBI identifier	CHEBI:16196	ChEBI ↗

Cross-source molecular data

PubChem

Molar mass	282.5 g/mol	PubChem ↗
Exact mass	282.255880323 Da	PubChem ↗
Computed XLogP	6.5	PubChem ↗
Topological polar surface area (Å²)	37.3	PubChem ↗
H-bond donors	1	PubChem ↗
H-bond acceptors	2	PubChem ↗
Rotatable bonds	15	PubChem ↗

PubChem computed values are shown separately from the ChEBI record. An exact InChIKey match was used to connect the records. Molecular descriptors do not describe a supplied product’s purity, particle size or performance.

Names & structural identifiers

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Source preferred name

oleic acid

IUPAC name

(9Z)-octadec-9-enoic acid

InChIKey

ZQPPMHVWECSIRJ-KTKRTIGZSA-N

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-

Names & synonyms

(9Z)-octadec-9-enoic acid

Names are supplied by ChEBI. Trade names and related synonyms may describe a broader product context.

Classification & relationships

ChEBI ontology

octadec-9-enoic acidChEBI parent class · 36021 ↗

carboxylic acid lipid organic molecular entity

Roles recorded in ChEBI

antioxidantantineoplastic agentimmunosuppressive agentsolventmouse metaboliteplant metaboliteEscherichia coli metaboliteEC 3.1.1.1 (carboxylesterase) inhibitorDaphnia galeata metabolite

Database role annotations describe reported biological or chemical roles; they are not product approvals or recommendations for use.

Mass ↔ amount of substance

Calculated from sourced mass

Amount

Input unit

Equivalent amount

0.00354022 mol

Uses 282.468 g/mol from ChEBI. Assumes the substance described by this record; no purity or concentration correction is applied.

Elemental composition

Theoretical mass fractions

C

Carbon · 18 atoms

76.54%

H

Hydrogen · 34 atoms

12.13%

O

Oxygen · 2 atoms

11.33%

Calculated theoretical mass fractions from the reported formula and PubChem periodic-table atomic masses. These are not assay or purity results.

Research & patent references

Selected source associations

T cells ignore aniline, a prohapten, but respond to its reactive metabolites generated by phagocytes: possible implications for the pathogenesis of toxic oil syndrome. ↗Chemical research in toxicology · 2001 Apr · PMID 11304127

Botanical solvents. ↗Clinics in occupational and environmental medicine · 2004 Aug · PMID 15325315

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Sources & record history

Checked 27 Sep 2026

Identity, formula, mass, synonyms & ontologyEMBL-EBI ChEBI · CHEBI:16196

Release 255, 9 September 2026. ChEBI three-star (manually annotated) source entry. View original record ↗ · CC BY 4.0

Additional molecular descriptorsNCBI PubChem · CID 445639 · retrieved 2026-09-27

PubCAS formats source data, connects references and computes explicitly labelled conversions. CAS cross-references are supplied by ChEBI; they do not constitute CAS verification or endorsement.

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