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Details

Stereochemistry RACEMIC
Molecular Formula C16H28O2
Molecular Weight 252.3923
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of LINALYL HEXANOATE

SMILES

CCCCCC(=O)OC(C)(CCC=C(C)C)C=C

InChI

InChIKey=ALKCLFLTXBBMMP-UHFFFAOYSA-N
InChI=1S/C16H28O2/c1-6-8-9-12-15(17)18-16(5,7-2)13-10-11-14(3)4/h7,11H,2,6,8-10,12-13H2,1,3-5H3

HIDE SMILES / InChI

Molecular Formula C16H28O2
Molecular Weight 252.3923
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 hexanoate.
2003 Jul
Substance Class Chemical
Created
by admin
on Fri Dec 15 18:06:57 GMT 2023
Edited
by admin
on Fri Dec 15 18:06:57 GMT 2023
Record UNII
70M593F8B8
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
LINALYL HEXANOATE
FHFI  
Systematic Name English
1,6-OCTADIEN-3-OL, 3,7-DIMETHYL-, HEXANOATE
Systematic Name English
LINALYL HEXOATE
Common Name English
LINALYL CAPRONATE
Common Name English
HEXANOIC ACID, 1-ETHENYL-1,5-DIMETHYL-4-HEXEN-1-YL ESTER
Common Name English
HEXANOIC ACID, 1-ETHENYL-1,5-DIMETHYL-4-HEXENYL ESTER
Common Name English
1,6-OCTADIEN-3-OL
Systematic Name English
LINALYL HEXANOATE [FHFI]
Common Name English
FEMA NO. 2643
Code English
HEXANOIC ACID, 1,5-DIMETHYL-1-VINYL-4-HEXENYL ESTER
Common Name English
LINALYL CAPROATE
Systematic Name English
Classification Tree Code System Code
JECFA EVALUATION LINALYL HEXANOATE
Created by admin on Fri Dec 15 18:06:57 GMT 2023 , Edited by admin on Fri Dec 15 18:06:57 GMT 2023
CFR 21 CFR 172.515
Created by admin on Fri Dec 15 18:06:57 GMT 2023 , Edited by admin on Fri Dec 15 18:06:57 GMT 2023
Code System Code Type Description
CAS
7779-23-9
Created by admin on Fri Dec 15 18:06:57 GMT 2023 , Edited by admin on Fri Dec 15 18:06:57 GMT 2023
PRIMARY
ECHA (EC/EINECS)
231-922-3
Created by admin on Fri Dec 15 18:06:57 GMT 2023 , Edited by admin on Fri Dec 15 18:06:57 GMT 2023
PRIMARY
JECFA MONOGRAPH
351
Created by admin on Fri Dec 15 18:06:57 GMT 2023 , Edited by admin on Fri Dec 15 18:06:57 GMT 2023
PRIMARY
MESH
C475598
Created by admin on Fri Dec 15 18:06:57 GMT 2023 , Edited by admin on Fri Dec 15 18:06:57 GMT 2023
PRIMARY
EPA CompTox
DTXSID3052519
Created by admin on Fri Dec 15 18:06:57 GMT 2023 , Edited by admin on Fri Dec 15 18:06:57 GMT 2023
PRIMARY
FDA UNII
70M593F8B8
Created by admin on Fri Dec 15 18:06:57 GMT 2023 , Edited by admin on Fri Dec 15 18:06:57 GMT 2023
PRIMARY
PUBCHEM
564550
Created by admin on Fri Dec 15 18:06:57 GMT 2023 , Edited by admin on Fri Dec 15 18:06:57 GMT 2023
PRIMARY