Benzyl alcohol

CAS 100-51-6  ·  C7H8O  ·  MW 108.14 g/mol

Full record: Benzyl alcohol — Safety Data Sheet →

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3D model Benzyl Alcohol, CAS 100-51-6, molecular formula C7H8O, molar mass 108.14 g/mol

Model views

  • Benzyl alcohol (CAS 100-51-6) – ball-and-stick 3D model, MolGod Viewer
    ball-and-stick 3D model
  • Benzyl alcohol (CAS 100-51-6) – skeletal 3D model, MolGod Viewer
    skeletal 3D model
  • space-filling 3D model – rotation animation
  • Benzyl alcohol (CAS 100-51-6) – 2D structure, MolGod Viewer
    2D structure

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benzyl alcohol (CAS 100-51-6), C7H8O - 3D ball-and-stick molecular model, engraved element symbols (C H O), MolGod STL previewDownload image

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About Benzyl alcohol

Benzyl alcohol is a chemical compound registered under number CAS 100-51-6, with the molecular formula C7H8O, and a molar mass of 108.14 g/mol.

The molecule contains 16 atoms connected by 16 chemical bonds. The full systematic IUPAC name of this compound is phenylmethanol. The interactive 3D model above lets you view the spatial arrangement of the atoms — you can rotate it with the mouse, zoom with the scroll wheel, and switch between skeletal / Ball & Stick / Space Fill visualization modes.

In terms of physicochemical properties, the partition coefficient logP = 1.1 (positive value, a lipophilic compound), polar surface area PSA = 20.2 Ų, 1 donors and 1 hydrogen bond acceptors. These parameters are key when assessing bioavailability and interaction with biomolecules.

Chemical data for this compound comes from PubChem (NIH NLM NCBI), one of the world's largest chemical databases. All information is updated automatically and enriched with GHS hazard statement translations compliant with the CLP Regulation (EC 1272/2008). The interactive 3D model and the viewer images are protected by copyright (© MolGod.org) — terms of use: molgod.org/copyright/.

Physicochemical properties
Molecular formulaC7H8O
Molar mass108.14 g/mol
IUPACphenylmethanol
SMILESC1=CC=C(C=C1)CO
InChIKeyWVDDGKGOMKODPV-UHFFFAOYSA-N
logP (XLogP3)1.1
PSA20.2 Ų
HBD / HBA1 / 1
PubChem CIDCID 244 ↗
GHS safety

Signal word: Warning

GHS07
GHS07

H302 — Harmful if swallowed

H319 — Causes serious eye irritation

H317 — May cause an allergic skin reaction

Scientific literature

Related literature

8 articles · 3 open access · Sources: PubMed, OpenAlex, Semantic Scholar

Filters:Export:📄 BibTeX📑 RIS📋 EndNote🔧 CSL-JSON

📈 Publication timeline (number of articles: 8)

1989: number of articles 119892012: number of articles 12015: number of articles 12017: number of articles 120172022: number of articles 12023: number of articles 22026: number of articles 12026

Bar height = number of articles in a given year. Hover over a bar to see details.

Data from PubMed (NIH NLM), OpenAlex (CC0), Semantic Scholar (AI2). AI Summary generated by Semantic Scholar TLDR. Articles marked with require paid access.

Synonyms
benzyl alcohol · phenylmethanol · 100-51-6 · benzenemethanol · phenylcarbinol · Benzenecarbinol · Hydroxytoluene · Benzoyl alcohol · alpha-Toluenol · Phenylmethyl alcohol · (Hydroxymethyl)benzene · Phenolcarbinol · alpha-hydroxytoluene · Alcool benzylique · Benzal alcohol
Data sources
Related molecules
📜 License & provenanceMolGod_License_1
COMPUTED — PubChem3D · 3D conformer computed by PubChem using OMEGA; not an experimental structure.
Model
benzyl alcohol · 100-51-6
InChIKey
WVDDGKGOMKODPV-UHFFFAOYSA-N
License
CC BY-SA 4.0 International
Attribution
MolGod Scientific — benzyl alcohol (CAS 100-51-6)
License & provenance record
benzyl alcohol (CAS 100-51-6) →
MolGod molecule record
benzyl alcohol →
Source data
PubChem CID 244 ↗
Model information
STL generated by MolGod · MolGod STL Exporter build 48804cd20b0d · generated 2026-10-14
SHA-256 (STL)
1a37e91a531fe51dbc048697968fe5abd9997c84442116bfef24c31dc354f7a3
MD5 (STL)
51448ee76d9cd0dab1f6e44b32c35433
MolGod Identification Number
MG_677-900-867-79
Transformation
MolGod Scientific ball-and-stick mesh
Changes
Converted into a triangulated molecular mesh; atomic coordinates and connectivity unchanged.
Wikimedia Commons
STL · PNG
Free printable molecule model
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This license applies to the MolGod-created STL mesh, not automatically to third-party source material.

This 3D model is also published on: Zenodo (DOI 10.5281/zenodo.23476629) · NIH 3D (3DPX-023770) · Wikimedia Commons
Included in datasets: Figshare (DOI 10.6084/m9.figshare.34778031) · Hugging Face · OSF project index
Source structure: PubChem (CID 244)
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