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Chemical substance record

2-phenylethanol

60-12-8C8H10O122.167 g/mol

A primary alcohol that is ethanol substituted by a phenyl group at position 2. — ChEBI

Safety references

Safety documents & references

1 indexed references
JP · NITE

Government GHS classification

22A4113 · FY2010

View classification

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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 number60-12-8ChEBI ↗
Molecular formulaC8H10OChEBI ↗
Molar mass122.167 g/molChEBI ↗
Monoisotopic mass122.07316 DaChEBI ↗
Formal charge0ChEBI ↗
ChEBI identifierCHEBI:49000ChEBI ↗

Cross-source molecular data

PubChem
Molar mass122.16 g/molPubChem ↗
Exact mass122.073164938 DaPubChem ↗
Computed XLogP1.4PubChem ↗
Topological polar surface area (Ų)20.2PubChem ↗
H-bond donors1PubChem ↗
H-bond acceptors1PubChem ↗
Rotatable bonds2PubChem ↗

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
2-phenylethanol
2-phenylethanol
WRMNZCZEMHIOCP-UHFFFAOYSA-N
OCCc1ccccc1
InChI=1S/C8H10O/c9-7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2

Classification & relationships

ChEBI ontology

Roles recorded in ChEBI

plant growth retardantfragranceSaccharomyces cerevisiae metaboliteplant metaboliteAspergillus 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 · FY2010 source classification
beta-Phenylethyl alcohol; Phenethyl alcohol · 22A4113
EndpointReported classification
Acute toxicity (Oral)Category 4
Acute toxicity (Dermal)Category 3
Serious eye damage/eye irritationCategory 2
Reproductive toxicityCategory 2
Specific target organ toxicity - Single exposureCategory 2 (liver, kidney), Category 3 (narcotic effects)

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
0.00818552 mol

Uses 122.167 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 · 8 atoms
78.65%
O
Oxygen · 1 atom
13.10%
H
Hydrogen · 10 atoms
8.25%

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:49000

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

NCBI PubChem · CID 6054 · 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.