Chemical substance record

Safranal

116-26-7C₁₀H₁₄O150.221 g/mol

Organic/Inorganic Small MoleculeChEBI source record

A monoterpenoid formally derived from β-cyclocitral by dehydrogenation. It is the major volatile component of saffron responsible for the characteristic aroma of saffron. — ChEBI

Safety references

Safety documents & references

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Identity & molecular properties

Source-linked values

CAS number	116-26-7	ChEBI ↗
Molecular formula	C₁₀H₁₄O	ChEBI ↗
Molar mass	150.221 g/mol	ChEBI ↗
Monoisotopic mass	150.10447 Da	ChEBI ↗
Formal charge	0	ChEBI ↗
ChEBI identifier	CHEBI:53169	ChEBI ↗

Cross-source molecular data

PubChem

Molar mass	150.22 g/mol	PubChem ↗
Exact mass	150.104465066 Da	PubChem ↗
Computed XLogP	2.1	PubChem ↗
Topological polar surface area (Å²)	17.1	PubChem ↗
H-bond donors	0	PubChem ↗
H-bond acceptors	1	PubChem ↗
Rotatable bonds	1	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

safranal

IUPAC name

2,6,6-trimethylcyclohexa-1,3-diene-1-carbaldehyde

InChIKey

SGAWOGXMMPSZPB-UHFFFAOYSA-N

SMILES

CC1=C(C=O)C(C)(C)CC=C1

InChI

InChI=1S/C10H14O/c1-8-5-4-6-10(2,3)9(8)7-11/h4-5,7H,6H2,1-3H3

Names & synonyms

2,6,6-trimethylcyclohexa-1,3-diene-1-carbaldehyde

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

Classification & relationships

ChEBI ontology

monoterpenoidChEBI parent class · 25409 ↗

lipid organic molecular entity

Roles recorded in ChEBI

antineoplastic agentradical scavengerneuroprotective agentanti-inflammatory agentnephroprotective agentplant 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

0.00665686 mol

Uses 150.221 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 · 10 atoms

79.96%

O

Oxygen · 1 atom

10.65%

H

Hydrogen · 14 atoms

9.39%

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

RIFM fragrance ingredient safety assessment, 2,6,6-trimethylcyclohexa-1,3-dienyl methanal, CAS Registry Number 116-26-7. ↗Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association · 2020 Apr 15 · PMID 32135214

Safrana l Prevents Prostate Cancer Recurrence by Blocking the Re-activation of Quiescent Cancer Cells via Downregulation of S-Phase Kinase-Associated Protein 2. ↗Frontiers in cell and developmental biology · 2020 · PMID 33392189

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Sources & record history

Checked 27 Sep 2026

Identity, formula, mass, synonyms & ontologyEMBL-EBI ChEBI · CHEBI:53169

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

Additional molecular descriptorsNCBI PubChem · CID 61041 · 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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