Benzyl Benzoate

CAS 120-51-4  ·  C14H12O2  ·  MW 212.24 g/mol

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3D model Benzyl Benzoate, CAS 120-51-4, molecular formula C14H12O2, molar mass 212.24 g/mol
About Benzyl Benzoate

Benzyl Benzoate is a chemical compound registered under number CAS 120-51-4, with the molecular formula C14H12O2, and a molar mass of 212.24 g/mol.

The molecule contains 28 atoms connected by 29 chemical bonds. The full systematic IUPAC name of this compound is benzyl benzoate. 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 = 4 (positive value, a lipophilic compound), polar surface area PSA = 26.3 Ų, 0 donors and 2 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 widget above may be used for educational, research and commercial purposes.

Physicochemical properties
Molecular formulaC14H12O2
Masa molowa212.24 g/mol
IUPACbenzyl benzoate
SMILESC1=CC=C(C=C1)COC(=O)C2=CC=CC=C2
InChIKeySESFRYSPDFLNCH-UHFFFAOYSA-N
logP (XLogP3)4
PSA26.3 Ų
HBD / HBA0 / 2
PubChem CIDCID 2345 ↗
GHS safety

Signal word: Warning

GHS07
GHS07
GHS09
GHS09

H302 — Działa szkodliwie po połknięciu

H411 — Działa toksycznie na organizmy wodne, powodując długotrwałe skutki

Scientific literature

Related literature

1 articles · 1 open access · Sources: PubMed, OpenAlex, Semantic Scholar

Filtry:Eksport:📄 BibTeX📑 RIS📋 EndNote🔧 CSL-JSON

Dane z PubMed (NIH NLM), OpenAlex (CC0), Semantic Scholar (AI2). AI Summary wygenerowane przez Semantic Scholar TLDR. Artykuły z ikoną wymagają płatnego dostępu.

Synonyms
BENZYL BENZOATE · 120-51-4 · Ascabiol · Benylate · Benzoic acid, phenylmethyl ester · Phenylmethyl benzoate · Benzoic acid, benzyl ester · Scobenol · Ascabin · Novoscabin · Scabiozon · Benzyl phenylformate · Benzylets · Colebenz · Peruscabin
Data sources
Related molecules
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License & Provenance

MolGod 3D molecular model
Benzyl Benzoate — CAS 120-51-4

License: CC BY-SA 4.0 (source rights NIEUSTALONE — not yet granted for this model)

MolGod License & Provenance Record:
Benzyl Benzoate (CAS 120-51-4) — License & Provenance

Source:
Benzyl Benzoate (CAS 120-51-4) — MolGod molecule record

Source data: PubChem CID 2345

STL: Download 3D model (574 KB)

SHA-256: a5371c1144d45ed2a10a62f0485748bc8700a49100004431fc8c5a85c0d35367

Wikimedia Commons: not published yet

Source data: PubChem CID 2345

This licence applies to the MolGod-created STL mesh, not automatically to third-party source material.