Basic information
- CAS
19277-56-6- Standard SMILES
CCCCOC(=O)c1ccc(C)cc1- InChIKey
UYGHRCCJWWYXMY-UHFFFAOYSA-N- Molecular formula
- C12H16O2
- Average molar mass
- 192.25 g/mol
- Monoisotopic mass
- 192.11502975
Names & identifiers
- Preferred name
- 4-Methylbenzoic acid butyl ester
- IUPAC
- butyl 4-methylbenzoate
- English name
- Benzoic acid, 4-methyl-, butyl ester
- Molecular formula
- C12H16O2
- Molecular weight
- 192.25
Names & synonyms
Butyl p-toluateButyl 4-methylbenzoateBenzoic acid, 4-methyl-, butyl esterp-Toluic acid, butyl ester19277-56-64-methylbenzoic acid butyl esterPJW7Q3ONM1NSC 24770NSC-24770BUTYL P-METHYLBENZOATEAI3-31109N-BUTYL P-METHYLBENZOATE
Show more names
p-Toluic acid butyl ester
DTXSID3066475O-TOLUIC ACID 2-BUTYL ESTERP-METHYLBENZOIC ACID BUTYL ESTERRefChem:525553DTXCID1036048UNII-PJW7Q3ONM1BUTYL PARA TOLUATEButyl 4-methylbenzoate #
Database identifiers
- CAS
19277-56-6- PubChem CID
- 87994
- DTXSID
DTXSID3066475- UNII
- PJW7Q3ONM1
- Nikkaji
- J47.848B
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 169
Physicochemical properties
- FDA UNII
- 7 Q3ONM1 · PJW7Q3ONM1
- EPA Substance Registry System
- 4 · Benzoic acid, 4-methyl-, butyl ester (19277-56-6)
- TSCA
- TSCA listed
Safety & regulation
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzoic acid, 4-methyl-, butyl ester: INACTIVE
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
1 records
Compound notes
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