Benzoic acid, 4-methyl-, (4-methylphenyl)methyl ester
Basic information
- CAS
21086-87-3- Standard SMILES
Cc1ccc(COC(=O)c2ccc(C)cc2)cc1- InChIKey
JSMHXVURHYHQGT-UHFFFAOYSA-N- Molecular formula
- C16H16O2
- Average molar mass
- 240.3 g/mol
- Monoisotopic mass
- 240.11502975
Names & identifiers
- Preferred name
- Benzoic acid, 4-methyl-, (4-methylphenyl)methyl ester
- IUPAC
- (4-methylphenyl)methyl 4-methylbenzoate
- English name
- (4-methylphenyl)methyl p-toluate
- Molecular formula
- C16H16O2
- Molecular weight
- 240.3
Names & synonyms
p-Methylbenzyl p-toluate21086-87-3Benzoic acid, 4-methyl-, (4-methylphenyl)methyl esterDTXSID4066678EINECS 244-206-0RefChem:566029DTXCID0036425(4-Methylphenyl)methyl 4-methylbenzoate(4-Methylphenyl)methyl p-toluatep-Toluic acid, p-methylbenzyl esterp-Toluic acid, p-xylyl ester4-Methylbenzyl 4-methylbenzoate
Show more names
4-Methylbenzyl-4-methylbenzoatep-Toluic acid 4-methylbenzyl ester4-Methylbenzoic acid (4-methylphenyl)methyl ester
SCHEMBL13932521NS00026786H81177
Database identifiers
- CAS
21086-87-3- PubChem CID
- 88787
- DTXSID
DTXSID4066678- EC Number
- 244-206-0
- Nikkaji
- J31.497H
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 258
Physicochemical properties
- EPA Substance Registry System
- 4 · Benzoic acid, 4-methyl-, (4-methylphenyl)methyl ester (21086-87-3)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzoic acid, 4-methyl-, (4-methylphenyl)methyl ester: INACTIVE
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Related reactions
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Compound notes
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