Basic information
- CAS
6550-46-5- Standard SMILES
CCCCCCCCCCCCCCCC(=O)Oc1cc(C)ccc1C(C)C- InChIKey
ZAYCLSYLSAJBBX-UHFFFAOYSA-N- Molecular formula
- C26H44O2
- Average molar mass
- 388.6 g/mol
- Monoisotopic mass
- 388.33413064
Names & identifiers
- Preferred name
- 5-Methyl-2-(1-methylethyl)phenyl palmitate
- IUPAC
- (5-methyl-2-propan-2-ylphenyl) hexadecanoate
- English name
- 5-methyl-2-(1-methylethyl)phenyl palmitate
- Molecular formula
- C26H44O2
- Molecular weight
- 388.63
Names & synonyms
5-Methyl-2-(1-methylethyl)phenyl palmitate6550-46-5EINECS 229-471-2thymol palmitate5-methyl-2-(propan-2-yl)phenyl hexadecanoateDTXSID10215805ZAYCLSYLSAJBBX-UHFFFAOYSA-NNS00035882Hexadecanoic acid 5-methyl-2-(1-methylethyl)phenyl ester
Database identifiers
- CAS
6550-46-5- PubChem CID
- 81036
- DTXSID
DTXSID10215805- EC Number
- 229-471-2
- Nikkaji
- J225.182E
Properties
Computed structural properties
- XLogP
- 10.3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 17
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 377
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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