2,4,6-Trimethylphenyl 2,2-dimethylpropanoate
Basic information
- CAS
54644-40-5- Standard SMILES
Cc1cc(C)c(OC(=O)C(C)(C)C)c(C)c1- InChIKey
LQPZFAMVTOHECS-UHFFFAOYSA-N- Molecular formula
- C14H20O2
- Average molar mass
- 220.31 g/mol
- Monoisotopic mass
- 220.14632988
Names & identifiers
- Preferred name
- 2,4,6-Trimethylphenyl 2,2-dimethylpropanoate
- IUPAC
- (2,4,6-trimethylphenyl) 2,2-dimethylpropanoate
- English name
- Pivalic acid mesityl ester
- Molecular formula
- C14H20O2
- Molecular weight
- 220.31
Names & synonyms
2,4,6-Trimethylphenyl 2,2-dimethylpropanoate54644-40-5DTXSID00203079RefChem:245843DTXCID50125570Mesityl pivalatePivalic acid mesityl esterMesityl pivalate #LQPZFAMVTOHECS-UHFFFAOYSA-NPropanoic acid, 2,2-dimethyl-, 2,4,6-trimethylphenyl esterDB-244755Pivalic acid 2,4,6-trimethylphenyl ester
Show more names
2,2-Dimethylpropionic acid 2,4,6-trimethylphenyl ester
Database identifiers
- CAS
54644-40-5- PubChem CID
- 41144
- DTXSID
DTXSID00203079- Nikkaji
- J122.324K
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 240
Physicochemical properties
- Boiling point
- 85 · 85-88 °C(Press: 0.6 Torr)
- Density
- 0.977 · 0.977±0.06 g/cm3(Predicted)
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Compound notes
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