propyl benzoate
CHEBI:156072
·resolve ·BIOCIDE
·EXACT
SEEDED
A benzoate ester obtained by condensation of benzoic acid and propanol. It has a balsamic odor reminescent of nuts with a sweet, fruity, nut-like taste. — ChEBI
Machine-generated and unreviewed. Identity, structure and
cross-references come straight from ChEBI's and CARD's own data; no curator has
signed off on this record yet.
Classification
Strictly broader compounds or drug classes this molecule belongs to.
Chemical structure
Computed structure properties
| Molecular formula | C10H12O2 |
|---|
| Charge | 0 |
|---|
| Average mass | 164.204 Da |
|---|
| Monoisotopic mass | 164.08373 Da |
|---|
| Source | ChEBI |
|---|
| InChIKey | UDEWPOVQBGFNGE-UHFFFAOYSA-N |
|---|
SMILES
CCCOC(=O)c1ccccc1
InChI
InChI=1S/C10H12O2/c1-2-8-12-10(11)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
Also called
- Benzoic acid, propyl ester (EXACT_SYNONYM)— chebi
- benzoic acid n-propyl ester (EXACT_SYNONYM)— chebi
- benzoic acid propyl ester (EXACT_SYNONYM)— chebi
- n-propyl benzenecarboxylate (EXACT_SYNONYM)— chebi
- n-propyl benzoate (EXACT_SYNONYM)— chebi
- propyl benzenecarboxylate (EXACT_SYNONYM)— chebi
Cross-references
Equivalent identifiers for this same structure in other resources.
- cas:2315-68-6
- foodb.food:FDB008434
- hmdb:HMDB0031761
- metacyc.compound:CPD-19959
- reaxys:1863771
- wikipedia.en:Propyl_benzoate
Activity roles
Every antimicrobial role a source asserts for this compound — the
unreduced evidence behind its antimicrobial_class.
Source concepts
Every upstream concept that resolved to this record. The merge is
the product: this is what shows ChEBI and CARD are describing the same structure.
Upstream concepts merged into this record
| Source | Native ID | Label | Minted CURIE | Version |
|---|
| CHEBI |
CHEBI:156072 |
propyl benzoate |
antibioticmech:chebi-44d05622f0 |
2026-08-30 |
Curation history
-
SEEDED_FROM_SOURCES
2026-08-30 · seed_from_sources
Seeded from data/raw/ inventories (CHEBI)
-
RESEEDED_FROM_SOURCES
2026-08-30 · seed_from_sources
Re-seeded from updated data/raw/ inventories
-
RESEEDED_FROM_SOURCES
2026-08-30 · seed_from_sources
Re-seeded from updated data/raw/ inventories
Provenance
Seeded by scripts/seed_from_sources.py from the committed
inventories in data/raw/.
View the record.