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Chemical substance record

Benzyl alcohol

100-51-6C7H8O108.14 g/mol

An aromatic alcohol that consists of benzene bearing a single hydroxymethyl substituent. — ChEBI

Safety references

Safety documents & references

1 indexed references
JP · NITE

Government GHS classification

R03-C-016-MHLW · FY2021

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 number100-51-6ChEBI ↗
Molecular formulaC7H8OChEBI ↗
Molar mass108.14 g/molChEBI ↗
Monoisotopic mass108.05751 DaChEBI ↗
Formal charge0ChEBI ↗
ChEBI identifierCHEBI:17987ChEBI ↗

Cross-source molecular data

PubChem
Molar mass108.14 g/molPubChem ↗
Exact mass108.057514874 DaPubChem ↗
Computed XLogP1.1PubChem ↗
Topological polar surface area (Ų)20.2PubChem ↗
H-bond donors1PubChem ↗
H-bond acceptors1PubChem ↗
Rotatable bonds1PubChem ↗

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
benzyl alcohol
phenylmethanol
WVDDGKGOMKODPV-UHFFFAOYSA-N
OCc1ccccc1
InChI=1S/C7H8O/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2

Names & synonyms

phenylmethanol

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

Classification & relationships

ChEBI ontology

Roles recorded in ChEBI

antioxidantmetaboliteantiparasitic agentsolventfragrance

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 · FY2021 source classification
Benzyl alcohol · R03-C-016-MHLW
EndpointReported classification
Skin sensitizationCategory 1A

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
0.00924727 mol

Uses 108.14 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 · 7 atoms
77.75%
O
Oxygen · 1 atom
14.79%
H
Hydrogen · 8 atoms
7.46%

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:17987

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

NCBI PubChem · CID 244 · 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.