2-phenylethyl butyrate

ScientificNameLabel

2-phenylethyl butyrate
PHCD compound ID :	2115
Chemical Names :	2-phenylethyl butyrate
Molecular Formula :	C12H16O2
Molecular Weight :	192.11503

More Details :

Names & Synonyms:	2-phenylethyl butanoate , butanoic acid 2-phenylethyl ester , butyric acid phenethyl ester
Smiles:	CCCC(=O)OCCc1ccccc1
InChi :	InChI=1S/C12H16O2/c1-2-6-12(13)14-10-9-11-7-4-3-5-8-11/h3-5,7-8H,2,6,9-10H2,1H3
InChi Key :	InChIKey=WFNDDSQUKATKNX-UHFFFAOYSA-N
PubChem ID :	7658

Rotatable bond count :	6	Rule of five :	0
Hydrogen bond acceptor count :	2	Ionization potential :	9.496296
Hydrogen bond donor count :	0	Electric dipole moment :	1.844
XLogP :	2.735	VDW volume :	199.886434
Molecular weight :	192.11503	HOMO-LUMO gap :	9.778000

Herb list :

Tamarind, Indian date - Tamarindus indica - تمرهندی

Refrences & Litretures:


251. Journal:'Journal of Essential Oil Research' Year:'2004' Volume:'16' Page:'318' DOI:'10.1080/10412905.2004.9698731' Title:'Volatile Components of Tamarind (Tamarindus indica L.) Grown in Cuba'

Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.

Follow us