Chemical substance record

Geranyl acetone

3796-70-1C₁₃H₂₂O194.318 g/mol

Organic/Inorganic Small MoleculeChEBI source record

A monoterpene ketone in which an (E)-geranyl group is bonded to one of the α-methyls of acetone. It is a component of essential oils from various plants including Nelumbo nucifera. — ChEBI

Safety references

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Identity & molecular properties

Source-linked values

CAS number	3796-70-1	ChEBI ↗
Molecular formula	C₁₃H₂₂O	ChEBI ↗
Molar mass	194.318 g/mol	ChEBI ↗
Monoisotopic mass	194.16707 Da	ChEBI ↗
Formal charge	0	ChEBI ↗
ChEBI identifier	CHEBI:67206	ChEBI ↗

Cross-source molecular data

PubChem

Molar mass	194.31 g/mol	PubChem ↗
Exact mass	194.167065321 Da	PubChem ↗
Computed XLogP	3.7	PubChem ↗
Topological polar surface area (Å²)	17.1	PubChem ↗
H-bond donors	0	PubChem ↗
H-bond acceptors	1	PubChem ↗
Rotatable bonds	6	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

geranyl acetone

IUPAC name

(5E)-6,10-dimethylundeca-5,9-dien-2-one

InChIKey

HNZUNIKWNYHEJJ-FMIVXFBMSA-N

SMILES

CC(=O)CC/C=C(C)CCC=C(C)C

InChI

InChI=1S/C13H22O/c1-11(2)7-5-8-12(3)9-6-10-13(4)14/h7,9H,5-6,8,10H2,1-4H3/b12-9+

Names & synonyms

(5E)-6,10-dimethylundeca-5,9-dien-2-one

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

Classification & relationships

ChEBI ontology

monoterpene ketoneChEBI parent class · 25408 ↗

ketone lipid organic molecular entity

Roles recorded in ChEBI

volatile oil componentflavouring agentfragranceplant 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

0.0051462 mol

Uses 194.318 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 · 13 atoms

80.35%

H

Hydrogen · 22 atoms

11.41%

O

Oxygen · 1 atom

8.23%

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

Olfactory receptors on the antennae of the malaria mosquito Anopheles gambiae are sensitive to ammonia and other sweat-borne components. ↗Journal of insect physiology · 2001 Apr · PMID 11166310

Heterogeneous oxidation of squalene film by ozone under various indoor conditions. ↗Indoor air · 2009 Oct · PMID 19500173

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Sources & record history

Checked 27 Sep 2026

Identity, formula, mass, synonyms & ontologyEMBL-EBI ChEBI · CHEBI:67206

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

Additional molecular descriptorsNCBI PubChem · CID 1549778 · 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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