1-Phenylethyl hexanoate
CAS Registry Number®
3460-45-5
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CAS Name
1-Phenylethyl hexanoateMolecular Formula
C14H20O2Molecular Mass
220.31Cite this Page
1-Phenylethyl hexanoate. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=3460-45-5 (retrieved ) (CAS RN: 3460-45-5). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Boiling Point (1)
110-111 °C @ Press: 2.5 TorrDensity (1)
0.9705 g/cm³ @ Temp: 20 °C
Source(s)
Other Names and Identifiers
InChI
InChI=1S/C14H20O2/c1-3-4-6-11-14(15)16-12(2)13-9-7-5-8-10-13/h5,7-10,12H,3-4,6,11H2,1-2H3
InChIKey
InChIKey=XDNXTDFSRYCZFT-UHFFFAOYSA-N
SMILES
C(OC(CCCCC)=O)(C)C1=CC=CC=C1
Canonical SMILES
O=C(OC(C=1C=CC=CC1)C)CCCCC
Other Names for this Substance
- Hexanoic acid, 1-phenylethyl ester
- Hexanoic acid, α-methylbenzyl ester
- 1-Phenylethyl hexanoate
Deleted or Replaced CAS Registry Numbers
122349-97-7