Hexyl α-hydroxybenzeneacetate
CAS Registry Number®
5431-31-2
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CAS Name
Hexyl α-hydroxybenzeneacetateMolecular Formula
C14H20O3Molecular Mass
236.31Cite this Page
Hexyl α-hydroxybenzeneacetate. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=5431-31-2 (retrieved ) (CAS RN: 5431-31-2). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Boiling Point (1)
133 °C @ Press: 2 Torr
Source(s)
Other Names and Identifiers
InChI
InChI=1S/C14H20O3/c1-2-3-4-8-11-17-14(16)13(15)12-9-6-5-7-10-12/h5-7,9-10,13,15H,2-4,8,11H2,1H3
InChIKey
InChIKey=WTWKQARYVVXCNG-UHFFFAOYSA-N
SMILES
C(C(OCCCCCC)=O)(O)C1=CC=CC=C1
Canonical SMILES
O=C(OCCCCCC)C(O)C=1C=CC=CC1
Other Names for this Substance
- Benzeneacetic acid, α-hydroxy-, hexyl ester
- Mandelic acid, hexyl ester
- Hexyl α-hydroxybenzeneacetate
- Hexyl mandelate
- AI 3-4202
