Hexyl benzoate
CAS Registry Number®
6789-88-4
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CAS Name
Hexyl benzoateMolecular Formula
C13H18O2Molecular Mass
206.28Cite this Page
Hexyl benzoate. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=6789-88-4 (retrieved ) (CAS RN: 6789-88-4). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Boiling Point (1)
272 °C @ Press: 770 TorrDensity (2)
0.971 g/cm³ @ Temp: 25 °C
Source(s)
- (1) Hazardous Substances Data Bank data were obtained from the National Library of Medicine (US)
- (2) Merker, Robert L.; Journal of Organic Chemistry, (1961), 26, 5180-2, CAplus
Other Names and Identifiers
InChI
InChI=1S/C13H18O2/c1-2-3-4-8-11-15-13(14)12-9-6-5-7-10-12/h5-7,9-10H,2-4,8,11H2,1H3
InChIKey
InChIKey=UUGLJVMIFJNVFH-UHFFFAOYSA-N
SMILES
C(OCCCCCC)(=O)C1=CC=CC=C1
Canonical SMILES
O=C(OCCCCCC)C=1C=CC=CC1
Other Names for this Substance
- Benzoic acid, hexyl ester
- Hexyl benzoate
- n-Hexyl benzoate
- 1-Hexyl benzoate
- Hexyl alcohol, benzoate
