ISOBUTYRIC ACID PHENYL ESTER

1. Names and Identifiers

1.2 Synonyms: 2-methyl-propionic acid phenyl ester; Isobutyricacid, phenyl ester (6CI,7CI,8CI); isobutyryloxy-benzene; Phenyl 2-methylpropanoate; Phenyl 2-Methylpropionate; Phenyl Isobutyrate; phenyl-2,2-dimethyl-propionoate; Phenylisobutanoate; PhenylIsobutyrate>Propanoic acid, 2-methyl-, phenyl ester;

2. Properties

3. MSDS

Serious eye damage, Category 1

Pictogram(s)
Signal word	Danger
Hazard statement(s)	H318 Causes serious eye damage
Precautionary statement(s)
Prevention	P280 Wear protective gloves/protective clothing/eye protection/face protection.
Response	P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. P310 Immediately call a POISON CENTER/doctor/…
Storage	none
Disposal	none

none

4. Computed Properties

Molecular Weight：164.2g/mol
Molecular Formula：C₁₀H₁₂O₂
Compound Is Canonicalized：True
XLogP3-AA：164.083729621
Monoisotopic Mass：164.083729621
Complexity：146
Rotatable Bond Count：3
Hydrogen Bond Donor Count：0
Hydrogen Bond Acceptor Count：2
Topological Polar Surface Area：26.3
Heavy Atom Count：：12
Defined Atom Stereocenter Count：0
Undefined Atom Stereocenter Count：0
Defined Bond Stereocenter Count：0
Undefined Bond Stereocenter Count：0
Isotope Atom Count：0
Covalently-Bonded Unit Count：1
CACTVS Substructure Key Fingerprint：AAADccBwMAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGgAAAAAADQSAkAAyDoAABACIACDSCAACCAAgIAAIiAEGCIgMJiKEMRqCOiCkwBEIqAeAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==