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Chemical substance record

Beta-myrcene

123-35-3C10H16136.238 g/mol

A monoterpene that is octa-1,6-diene bearing methylene and methyl substituents at positions 3 and 7 respectively. — ChEBI

Safety references

Safety documents & references

1 indexed references
JP · NITE

Government GHS classification

R02-B-032-MHLW, MOE · FY2020

View classification

Find a product-specific SDS

Safety guides and government classification records are not a manufacturer’s SDS. Match supplier, product number, concentration, physical form, region and revision before using a document.

Identity & molecular properties

Source-linked values
CAS number123-35-3ChEBI ↗
Molecular formulaC10H16ChEBI ↗
Molar mass136.238 g/molChEBI ↗
Monoisotopic mass136.1252 DaChEBI ↗
Formal charge0ChEBI ↗
ChEBI identifierCHEBI:17221ChEBI ↗

Cross-source molecular data

PubChem
Molar mass136.23 g/molPubChem ↗
Exact mass136.125200510 DaPubChem ↗
Computed XLogP4.3PubChem ↗
Topological polar surface area (Ų)0PubChem ↗
H-bond donors0PubChem ↗
H-bond acceptors0PubChem ↗
Rotatable bonds4PubChem ↗

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

Copy any identifier
beta-myrcene
7-methyl-3-methylideneocta-1,6-diene
UAHWPYUMFXYFJY-UHFFFAOYSA-N
C=CC(=C)CCC=C(C)C
InChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5,7H,1,4,6,8H2,2-3H3

Names & synonyms

7-methyl-3-methylideneocta-1,6-diene

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

Classification & relationships

ChEBI ontology

Roles recorded in ChEBI

volatile oil componentflavouring agentanabolic agentfragranceanti-inflammatory agentplant metabolite

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

Safety classification · Japan

NITE / Japanese government
Japan · FY2020 source classification
7-Methyl-3-methylene-1,6-octadiene · R02-B-032-MHLW, MOE
EndpointReported classification
Flammable liquidsCategory 3
Skin corrosion/irritationCategory 2
Serious eye damage/eye irritationCategory 2A
CarcinogenicityCategory 2
Reproductive toxicityCategory 1B
Hazardous to the aquatic environment (Acute)Category 1

Selected source-reported endpoints. Other endpoints, rationales and conditions remain in the original classification. Missing or unlisted information does not mean non-hazardous. This is not a global classification or transport decision.

Read the original NITE classification

Mass ↔ amount of substance

Calculated from sourced mass
Equivalent amount
0.0073401 mol

Uses 136.238 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
88.16%
H
Hydrogen · 16 atoms
11.84%

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

Sources & record history

Checked 27 Sep 2026
EMBL-EBI ChEBI · CHEBI:17221

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

NCBI PubChem · CID 31253 · 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.