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

Details

Stereochemistry RACEMIC
Molecular Formula C17H22O2
Molecular Weight 258.3554
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of LINALYL BENZOATE

SMILES

CC(C)=CCCC(C)(OC(=O)C1=CC=CC=C1)C=C

InChI

InChIKey=BTJXBZZBBNNTOV-UHFFFAOYSA-N
InChI=1S/C17H22O2/c1-5-17(4,13-9-10-14(2)3)19-16(18)15-11-7-6-8-12-15/h5-8,10-12H,1,9,13H2,2-4H3

HIDE SMILES / InChI

Molecular Formula C17H22O2
Molecular Weight 258.3554
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

PubMed

PubMed

TitleDatePubMed
Fragrance material review on linalyl cinnamate.
2003 Jul
Fragrance material review on linalyl benzoate.
2003 Jul
Substance Class Chemical
Created
by admin
on Fri Dec 15 18:06:33 GMT 2023
Edited
by admin
on Fri Dec 15 18:06:33 GMT 2023
Record UNII
2ADP7IT9Y3
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
LINALYL BENZOATE
FCC   FHFI   INCI  
INCI  
Official Name English
3,7-DIMETHYL-1,6-OCTADIEN-3-OL BENZOATE
Systematic Name English
1,6-OCTADIEN-3-OL, 3,7-DIMETHYL-, BENZOATE
Systematic Name English
FEMA NO. 2638
Code English
LINALYL BENZOATE [FCC]
Common Name English
NSC-71926
Code English
LINALYL BENZOATE [INCI]
Common Name English
BENZOIC ACID, LINALYL ESTER
Common Name English
BENZOIC ACID LINALOOL ESTER
Common Name English
1,6-OCTADIEN-3-OL, 3,7-DIMETHYL-, 3-BENZOATE
Common Name English
LINALYL BENZOATE [FHFI]
Common Name English
LINALOOL, BENZOATE
Systematic Name English
3,7-DIMETHYL-1,6-OCTADIEN-3-YL BENZOATE
Systematic Name English
Classification Tree Code System Code
JECFA EVALUATION LINALYL BENZOATE
Created by admin on Fri Dec 15 18:06:33 GMT 2023 , Edited by admin on Fri Dec 15 18:06:33 GMT 2023
CFR 21 CFR 172.515
Created by admin on Fri Dec 15 18:06:33 GMT 2023 , Edited by admin on Fri Dec 15 18:06:33 GMT 2023
Code System Code Type Description
JECFA MONOGRAPH
782
Created by admin on Fri Dec 15 18:06:33 GMT 2023 , Edited by admin on Fri Dec 15 18:06:33 GMT 2023
PRIMARY
NSC
71926
Created by admin on Fri Dec 15 18:06:33 GMT 2023 , Edited by admin on Fri Dec 15 18:06:33 GMT 2023
PRIMARY
PUBCHEM
31353
Created by admin on Fri Dec 15 18:06:33 GMT 2023 , Edited by admin on Fri Dec 15 18:06:33 GMT 2023
PRIMARY
FDA UNII
2ADP7IT9Y3
Created by admin on Fri Dec 15 18:06:33 GMT 2023 , Edited by admin on Fri Dec 15 18:06:33 GMT 2023
PRIMARY
EPA CompTox
DTXSID2047191
Created by admin on Fri Dec 15 18:06:33 GMT 2023 , Edited by admin on Fri Dec 15 18:06:33 GMT 2023
PRIMARY
MESH
C475594
Created by admin on Fri Dec 15 18:06:33 GMT 2023 , Edited by admin on Fri Dec 15 18:06:33 GMT 2023
PRIMARY
ECHA (EC/EINECS)
204-796-2
Created by admin on Fri Dec 15 18:06:33 GMT 2023 , Edited by admin on Fri Dec 15 18:06:33 GMT 2023
PRIMARY
CAS
126-64-7
Created by admin on Fri Dec 15 18:06:33 GMT 2023 , Edited by admin on Fri Dec 15 18:06:33 GMT 2023
PRIMARY