Isobutyl phenylacetate
CAS Registry Number®
102-13-6
CAS Name
Isobutyl phenylacetateMolecular Formula
C12H16O2Molecular Mass
192.25Cite this Page
Isobutyl phenylacetate. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=102-13-6 (retrieved ) (CAS RN: 102-13-6). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Boiling Point (1)
247 °CDensity (2)
0.9307 g/cm³ @ Temp: 14 °C
Source(s)
- (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)
- (2) Sabatier, P.; Compt. rend., (1913), 156, 424-7, CAplus
Other Names and Identifiers
InChI
InChI=1S/C12H16O2/c1-10(2)9-14-12(13)8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3
InChIKey
InChIKey=RJASFPFZACBKBE-UHFFFAOYSA-N
SMILES
C(C(OCC(C)C)=O)C1=CC=CC=C1
Canonical SMILES
O=C(OCC(C)C)CC=1C=CC=CC1
Other Names for this Substance
- Benzeneacetic acid, 2-methylpropyl ester
- Acetic acid, phenyl-, isobutyl ester
- Isobutyl phenylacetate
- Isobutyl α-toluate
- NSC 6602
