Basic information
- CAS
38409-63-1- Standard SMILES
CCCCCCc1ccc(C(=O)OC)cc1- InChIKey
RTTGTHPEVMEHEK-UHFFFAOYSA-N- Molecular formula
- C14H20O2
- Average molar mass
- 220.31 g/mol
- Monoisotopic mass
- 220.14632988
Names & identifiers
- Preferred name
- Benzoic acid, 4-hexyl-, methyl ester
- IUPAC
- methyl 4-hexylbenzoate
- English name
- 4-Hexylbenzoic acid methyl ester
- Molecular formula
- C14H20O2
- Molecular weight
- 220.31
Names & synonyms
38409-63-1Benzoic acid, 4-hexyl-, methyl esterMethyl p-hexylbenzoateDTXSID8068094RefChem:118462DTXCID0039487RTTGTHPEVMEHEK-UHFFFAOYSA-NMethyl 4-hexylbenzoate4-Hexylbenzoic acid methyl esterMethyl 4-hexylbenzoate #SCHEMBL1119597SCHEMBL6024028
Show more names
CHEMBL4098248DB-069688
Database identifiers
- CAS
38409-63-1- PubChem CID
- 591633
- DTXSID
DTXSID8068094- ChEMBL
CHEMBL4098248- Nikkaji
- J422.390J
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 193
Physicochemical properties
- EPA Substance Registry System
- 4 · Benzoic acid, 4-hexyl-, methyl ester (38409-63-1)
- TSCA
- TSCA listed
Safety & regulation
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzoic acid, 4-hexyl-, methyl ester: INACTIVE
Related reactions
6 records
Compound notes
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