Basic information
- CAS
5432-66-6- Standard SMILES
CC(C)COC(=O)COc1ccccc1- InChIKey
YTQQLZPYNUPPNM-UHFFFAOYSA-N- Molecular formula
- C12H16O3
- Average molar mass
- 208.25 g/mol
- Monoisotopic mass
- 208.10994437
Names & identifiers
- Preferred name
- Isobutyl phenoxyacetate
- IUPAC
- 2-methylpropyl 2-phenoxyacetate
- English name
- isobutyl phenoxyacetate
- Molecular formula
- C12H16O3
- Molecular weight
- 208.25364
Names & synonyms
Isobutyl phenoxyacetate5432-66-6Acetic acid, phenoxy-, 2-methylpropyl esterF2R7H5CW6FNSC-66042-methylpropyl 2-phenoxyacetateNSC6604EINECS 226-591-7AI3-22345UNII-F2R7H5CW6F2-Methylpropyl phenoxyacetateSCHEMBL10511811
Show more names
2-methylpropyl 2-(phenoxy)acetate2-methylpropyl 2-(phenoxy)ethanoate2-Phenoxyacetic acid isobutyl esterAcetic acid, 2-phenoxy-, 2-methylpropyl ester
DTXSID70202690YTQQLZPYNUPPNM-UHFFFAOYSA-NNSC 6604NS00033044
Database identifiers
- CAS
5432-66-6- PubChem CID
- 79487
- DTXSID
DTXSID70202690- UNII
- F2R7H5CW6F
- EC Number
- 226-591-7
- Nikkaji
- J218.018I
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 183
Physicochemical properties
- FDA UNII
- 2 R7H5CW6F · F2R7H5CW6F
Chemistry & industry
Applications
UsesIsobutyl phenoxyacetate has been used - and probably still finds some use - in Honey-bases for perfumery, the various"miel"types, etc.
Preparation methods
PreparationIsobutyl phenoxyacetate is prepared from iso-Butanol by esterification with Phenoxyacetic acid preferably under azeotropic conditions.
Suppliers2 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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