Benzyl acetate

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

The material · Turn it in 3D

In your room

A model you can turn here or place in your room with a phone. Nothing is fetched until you ask; nothing is stored or sent. Everything you can place in a room.

molecule

The Benzyl acetate molecule

A computed 3D conformer , modeled, not a photograph of a molecule. PubChem CID 8785.

To place it in your room, open this page on an iPhone or iPad (AR Quick Look) or an Android phone (Google Scene Viewer). The files below open in any 3D viewer.

PubChem’s computed 3D conformer of Benzyl acetate (CID 8785, conformer 0000225100000001): the shape a computer model gives the molecule, not an experimental structure and not a picture of a real molecule. Ball and stick: 9 carbon, 2 oxygen; the 10 hydrogen atoms are left out for clarity. The balls are drawn smaller than the atoms’ real reach; a double bond is two sticks, side by side.

In the room

scaled so that one ångström is 4 cm (about 400 million times life size): 12.4 cm tall, 30.9 cm across

Atoms

9 carbon, 2 oxygen · 11 bonds between them

Colours

carbon: ink sepia-2; oxygen: rose highlight; bonds: brass. Colour is a convention here and never carries the meaning alone: the letters on the drawing and this list say which atom is which.

Source

PubChem, CID 8785 (National Center for Biotechnology Information), its computed 3D conformer as filed on this record

Licence

PubChem’s data are public (NCBI); the model and its drawing were made for this site from those coordinates

The files GLB 22 KB · USDZ 48 KB · the drawing (SVG) 4 KB

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 · read 2026-09-30

confidence A

CAS

140-11-4

documented

140-11-4

PUBCHEM-8785 · PubChem Compound Summary for CID 8785, 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 · read 2026-09-30

confidence A

Formula

C9H10O2

documented

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

confidence A

Molecular weight

150.17

documented

PUBCHEM-8785 · PubChem Compound Summary for CID 8785, 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 · read 2026-09-30

confidence A

SMILES

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

documented

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

confidence A

InChIKey

QUKGYYKBILRGFE-UHFFFAOYSA-N

documented

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

confidence A

Odour threshold

withheld: not on record

withheld

no odour-threshold source on record

Descriptors

jasmine

documented

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

JAS-2 · Yassen et al. (2026). Comparative analysis of flower volatiles from four Jasminum species growing in Egypt using multivariate analysis · 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 house’s volatility table 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 · read 2026-09-30

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

confidence A

Wikidata

Q424223

documented

P662 PubChem CID: 8785

WD-1 · Wikidata (Wikimedia Foundation) · read 2026-09-30

the item states PubChem CID 8785 (P662) and the record’s InChIKey (P235); found by the statement search haswbstatement:P662=8785

confidence A

Odeuropa

EOKG concept

documented

{"concept":"http://data.odeuropa.eu/vocabulary/flavornet/odorants/212","relation":"owl:sameAs","via":"Q424223","label":"benzyl acetate","scheme":"http://data.odeuropa.eu/vocabulary/flavornet/odorants/"}

ODEUROPA-1 · Lisena, P., Ehrhart, T., Troncy, R · read 2026-09-30

the EOKG concept “benzyl acetate” states owl:sameAs Q424223 and the record’s CAS (wdt:P231)

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 · public domain (US government work, NCBI/NLM); acknowledgement requested , cite PubChem
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
3. WD-1 · Wikidata (Wikimedia Foundation): the items named on each record (each statement read with its references), read 2026-09-30. www.wikidata.org · read 2026-09-30 · CC0 1.0
4. ODEUROPA-1 · Lisena, P., Ehrhart, T., Troncy, R. European Olfactory Knowledge Graph (EOKG), Odeuropa project. Zenodo, 2024. doi:10.5281/zenodo.10709703. SPARQL endpoint https://data.odeuropa.eu/repositories/odeuropa, read 2026-09-30. doi.org/10.5281/zenodo.10709703 · read 2026-09-30 · CC BY 4.0

Our text and structure are CC BY 4.0; quoted source text stays under its owners’ terms.

this record as data: /data/molecule/benzyl-acetate.json · version 3 · updated 2026-10-01 · confidence A