Benzyl acetate

No share is given: the study’s figures are single samples. Its identity is PubChem’s.

The material · Turn it in 3D

The record

Each field carries its evidence: open a chip for the source, the quoted words and the confidence. A field with nothing behind it says so and stays empty.

Name

Benzyl acetate

documented

Benzyl acetate

PUBCHEM-8785 · PubChem Compound Summary for CID 8785, Benzyl acetate (benzyl acetate) · read 2026-09-30

confidence A

CAS

140-11-4

documented

140-11-4

PUBCHEM-8785 · PubChem Compound Summary for CID 8785, Benzyl acetate (benzyl acetate) · read 2026-09-30

among the CID’s PubChem synonyms, and PubChem resolves it back to this CID

confidence A

PubChem CID

8785

documented

PUBCHEM-8785 · PubChem Compound Summary for CID 8785, Benzyl acetate (benzyl acetate) · read 2026-09-30

confidence A

Formula

C9H10O2

documented

PUBCHEM-8785 · PubChem Compound Summary for CID 8785, Benzyl acetate (benzyl acetate) · read 2026-09-30

confidence A

Molecular weight

150.17

documented

PUBCHEM-8785 · PubChem Compound Summary for CID 8785, Benzyl acetate (benzyl acetate) · read 2026-09-30

g/mol, as PubChem states it

confidence A

IUPAC name

benzyl acetate

documented

PUBCHEM-8785 · PubChem Compound Summary for CID 8785, Benzyl acetate (benzyl acetate) · read 2026-09-30

confidence A

SMILES

CC(=O)OCC1=CC=CC=C1

documented

PUBCHEM-8785 · PubChem Compound Summary for CID 8785, Benzyl acetate (benzyl acetate) · read 2026-09-30

confidence A

InChIKey

QUKGYYKBILRGFE-UHFFFAOYSA-N

documented

PUBCHEM-8785 · PubChem Compound Summary for CID 8785, Benzyl acetate (benzyl acetate) · read 2026-09-30

confidence A

Odour threshold

withheld: not on record

withheld

no odour-threshold source in the repository

Descriptors

jasmine

documented

Benzyl acetate was the primary benzenoid ester, which exhibits a distinct jasmine aroma

JAS-2 · Yassen MS, Ayoub IM, El-Ahmady SH, Singab ANB · read 2026-09-30

the study: "exhibits a distinct jasmine aroma"

confidence A

Volatility class

not on record

not on record

no volatility class on record for benzyl acetate (the simulator’s data has no entry)

Regulation

not on record

not on record

no Regulation record names it

3D structure

PubChem computed 3D conformer · 21 atoms, 21 bonds

modeled

PUBCHEM-8785 · PubChem Compound Summary for CID 8785, Benzyl acetate (benzyl acetate) · read 2026-09-30

PubChem’s computed 3D conformer (the 3D SDF record): a model, drawn schematically, not an experimental structure

confidence A

Occurs in

• jasmine absolute
  documented · no share

  the main volatile constituent of the purchased J. grandiflorum concrete and absolute the study analysed

  confidence A

In teaching accords

• A white floral, indolic

Sources

1. PUBCHEM-8785 · PubChem Compound Summary for CID 8785, Benzyl acetate (benzyl acetate). National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine; live database, read 2026-09-30 through the PUG REST endpoints (no account): https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/name/140-11-4/cids/JSON · https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/cid/8785/property/MolecularFormula,MolecularWeight,IUPACName,Title,SMILES,InChIKey/JSON · https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/cid/8785/synonyms/JSON · https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/cid/8785/SDF?record_type=3d. pubchem.ncbi.nlm.nih.gov/compound/8785 · read 2026-09-30 · PubChem data are provided by NCBI (public-domain data; cite PubChem); the computed conformer is PubChem-generated. The raw responses are filed as fetched (the house’s records; the house’s review log the house’s records).
2. JAS-2 · Yassen MS, Ayoub IM, El-Ahmady SH, Singab ANB. Comparative analysis of flower volatiles from four Jasminum species growing in Egypt using multivariate analysis. Sci Rep. 2026;16(1):8947. doi.org/10.1038/s41598-026-39688-w · read 2026-09-30 · CC BY 4.0

These records are published under CC BY 4.0.

this record as data: /data/molecule/benzyl-acetate.json · version 1 · updated 2026-09-30 · confidence A