2-(2,4-Bis(1,1-dimethylpropyl)phenoxy)ethyl acrylate
Basic information
- CAS
64050-16-4- Standard SMILES
C=CC(=O)OCCOc1ccc(C(C)(C)CC)cc1C(C)(C)CC- InChIKey
MMXPBYQIASNXFL-UHFFFAOYSA-N- Molecular formula
- C21H32O3
- Average molar mass
- 332.5 g/mol
- Monoisotopic mass
- 332.23514488
Names & identifiers
- Preferred name
- 2-(2,4-Bis(1,1-dimethylpropyl)phenoxy)ethyl acrylate
- IUPAC
- 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]ethyl prop-2-enoate
- English name
- 2-[2,4-bis(1,1-dimethylpropyl)phenoxy]ethyl acrylate
- Molecular formula
- C21H32O3
- Molecular weight
- 332.48
Names & synonyms
64050-16-42-(2,4-Bis(1,1-dimethylpropyl)phenoxy)ethyl acrylateNSC-727992-[2,4-BIS(1,1-DIMETHYLPROPYL)PHENOXY]ETHYL ACRYLATE2-[2,4-bis(2-methylbutan-2-yl)phenoxy]ethyl prop-2-enoateNSC72799EINECS 264-620-5TGX84RP67BDTXSID30214173MMXPBYQIASNXFL-UHFFFAOYSA-N2-Propenoic acid, 2-[2,4-bis(1,1-dimethylpropyl)phenoxy]ethyl esterNSC 72799
Show more names
Acrylic acid 2-[2,4-bis(1,1-dimethylpropyl)phenoxy]ethyl ester
DB-323630NS000356242-[2,4-Bis(1,1-dimethylpropyl)phenoxy]ethyl 2-propenoate2-Propenoic acid,4-bis(1,1-dimethylpropyl)phenoxy]ethyl ester
Database identifiers
- CAS
64050-16-4- PubChem CID
- 96408
- DTXSID
DTXSID30214173- UNII
- TGX84RP67B
- EC Number
- 264-620-5
- Nikkaji
- J73.329F
Properties
Computed structural properties
- XLogP
- 6.8
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 10
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 411
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Boiling point
- 417.5 · 417.5±45.0 °C(Predicted)
- Density
- 0.965 · 0.965±0.06 g/cm3(Predicted)
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Compound notes
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