butyl benzoate
CHEBI:156070
·resolve ·BIOCIDE
·EXACT
SEEDED
A benzoate ester obtained by condensation of benzoic acid and butanol. It is used as a perfume ingredient and as a solvent for cellulose ether, a dye carrier for textiles. — 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 | C11H14O2 |
|---|
| Charge | 0 |
|---|
| Average mass | 178.231 Da |
|---|
| Monoisotopic mass | 178.09938 Da |
|---|
| Source | ChEBI |
|---|
| InChIKey | XSIFPSYPOVKYCO-UHFFFAOYSA-N |
|---|
SMILES
CCCCOC(=O)c1ccccc1
InChI
InChI=1S/C11H14O2/c1-2-3-9-13-11(12)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3
Also called
- Anthrapole AZ (BRAND_NAME)— chebi
- Dai Cari XBN (BRAND_NAME)— chebi
- Benzoic acid, butyl ester (EXACT_SYNONYM)— chebi
- benzoic acid butyl ester (EXACT_SYNONYM)— chebi
- benzoic acid n-butyl ester (EXACT_SYNONYM)— chebi
- n-butyl benzoate (EXACT_SYNONYM)— chebi
Cross-references
Equivalent identifiers for this same structure in other resources.
- cas:136-60-7
- foodb.food:FDB008741
- metacyc.compound:CPD-19955
- reaxys:1867073
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:156070 |
butyl benzoate |
antibioticmech:chebi-29dd02dcb7 |
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.