Isobutyl benzoate
CAS Registry Number®
120-50-3
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CAS Name
Isobutyl benzoateMolecular Formula
C11H14O2Molecular Mass
178.23Cite this Page
Isobutyl benzoate. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=120-50-3 (retrieved ) (CAS RN: 120-50-3). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Boiling Point (1)
242 °CDensity (2)
1.023 g/cm³ @ Temp: 23 °C
Source(s)
- (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)
- (2) Post, Howard W.; Journal of Organic Chemistry, (1936), 1, 231-5, CAplus
Other Names and Identifiers
InChI
InChI=1S/C11H14O2/c1-9(2)8-13-11(12)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3
InChIKey
InChIKey=KYZHGEFMXZOSJN-UHFFFAOYSA-N
SMILES
C(OCC(C)C)(=O)C1=CC=CC=C1
Canonical SMILES
O=C(OCC(C)C)C=1C=CC=CC1
Other Names for this Substance
- Benzoic acid, 2-methylpropyl ester
- Benzoic acid, isobutyl ester
- Isobutyl benzoate
- 2-Methylpropyl benzoate
- Benzoic acid iso-butyl ester
