U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry RACEMIC
Molecular Formula C14H20O2
Molecular Weight 220.3074
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-ETHYL-1-METHYL-3-PHENYLPROPYL ACETATE

SMILES

CCC(C)(CCC1=CC=CC=C1)OC(C)=O

InChI

InChIKey=HIWRBTFSEFIZNE-UHFFFAOYSA-N
InChI=1S/C14H20O2/c1-4-14(3,16-12(2)15)11-10-13-8-6-5-7-9-13/h5-9H,4,10-11H2,1-3H3

HIDE SMILES / InChI

Approval Year

Name Type Language
1-ETHYL-1-METHYL-3-PHENYLPROPYL ACETATE
Systematic Name English
1-PHENYL-3-METHYL-3-PENTANYL ACETATE
Systematic Name English
BENZENEPROPANOL, .ALPHA.-ETHYL-.ALPHA.-METHYL-, 1-ACETATE
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID10888033
Created by admin on Sat Dec 16 09:30:49 GMT 2023 , Edited by admin on Sat Dec 16 09:30:49 GMT 2023
PRIMARY
CAS
72007-81-9
Created by admin on Sat Dec 16 09:30:49 GMT 2023 , Edited by admin on Sat Dec 16 09:30:49 GMT 2023
PRIMARY
ECHA (EC/EINECS)
276-282-6
Created by admin on Sat Dec 16 09:30:49 GMT 2023 , Edited by admin on Sat Dec 16 09:30:49 GMT 2023
PRIMARY
FDA UNII
OX1DN3B7LS
Created by admin on Sat Dec 16 09:30:49 GMT 2023 , Edited by admin on Sat Dec 16 09:30:49 GMT 2023
PRIMARY
PUBCHEM
160065
Created by admin on Sat Dec 16 09:30:49 GMT 2023 , Edited by admin on Sat Dec 16 09:30:49 GMT 2023
PRIMARY