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

Details

Stereochemistry RACEMIC
Molecular Formula C18H26O2
Molecular Weight 274.3978
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CITRONELLYL PHENYLACETATE

SMILES

CC(CCOC(=O)CC1=CC=CC=C1)CCC=C(C)C

InChI

InChIKey=CVJBFMVLVJZZMM-UHFFFAOYSA-N
InChI=1S/C18H26O2/c1-15(2)8-7-9-16(3)12-13-20-18(19)14-17-10-5-4-6-11-17/h4-6,8,10-11,16H,7,9,12-14H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C18H26O2
Molecular Weight 274.3978
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Patents

Patents

Substance Class Chemical
Created
by admin
on Fri Dec 15 18:15:25 GMT 2023
Edited
by admin
on Fri Dec 15 18:15:25 GMT 2023
Record UNII
HH43UJ4D76
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CITRONELLYL PHENYLACETATE
FHFI  
Systematic Name English
BENZENEACETIC ACID, 3,7-DIMETHYL-6-OCTEN-1-YL ESTER
Common Name English
CITRONELLYL PHENYLACETATE [FHFI]
Common Name English
BENZENEACETIC ACID, 3,7-DIMETHYL-6-OCTENYL ESTER
Common Name English
CITRONELLYL .ALPHA.-TOLUATE
Systematic Name English
ACETIC ACID, PHENYL-, 3,7-DIMETHYL-6-OCTENYL ESTER
Common Name English
CITRONELLYL PHENYLACETATE, (±)-
Systematic Name English
6-OCTEN-1-OL, 3,7-DIMETHYL-, PHENYLACETATE
Systematic Name English
PHENYLACETIC ACID, 3,7-DIMETHYL-6-OCTENYL ESTER
Common Name English
FEMA NO. 2315
Code English
(±)-CITRONELLYL PHENYLACETATE
Systematic Name English
Classification Tree Code System Code
JECFA EVALUATION CITRONELLYL PHENYLACETATE
Created by admin on Fri Dec 15 18:15:25 GMT 2023 , Edited by admin on Fri Dec 15 18:15:25 GMT 2023
CFR 21 CFR 172.515
Created by admin on Fri Dec 15 18:15:25 GMT 2023 , Edited by admin on Fri Dec 15 18:15:25 GMT 2023
Code System Code Type Description
ECHA (EC/EINECS)
205-373-5
Created by admin on Fri Dec 15 18:15:25 GMT 2023 , Edited by admin on Fri Dec 15 18:15:25 GMT 2023
PRIMARY
FDA UNII
HH43UJ4D76
Created by admin on Fri Dec 15 18:15:25 GMT 2023 , Edited by admin on Fri Dec 15 18:15:25 GMT 2023
PRIMARY
JECFA MONOGRAPH
954
Created by admin on Fri Dec 15 18:15:25 GMT 2023 , Edited by admin on Fri Dec 15 18:15:25 GMT 2023
PRIMARY
EPA CompTox
DTXSID90861804
Created by admin on Fri Dec 15 18:15:25 GMT 2023 , Edited by admin on Fri Dec 15 18:15:25 GMT 2023
PRIMARY
CAS
139-70-8
Created by admin on Fri Dec 15 18:15:25 GMT 2023 , Edited by admin on Fri Dec 15 18:15:25 GMT 2023
PRIMARY
PUBCHEM
8767
Created by admin on Fri Dec 15 18:15:25 GMT 2023 , Edited by admin on Fri Dec 15 18:15:25 GMT 2023
PRIMARY