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Details

Stereochemistry RACEMIC
Molecular Formula C15H26O2
Molecular Weight 238.3657
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of LINALYL ISOVALERATE

SMILES

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

InChI

InChIKey=WCDGWAIZRYMVOW-UHFFFAOYSA-N
InChI=1S/C15H26O2/c1-7-15(6,10-8-9-12(2)3)17-14(16)11-13(4)5/h7,9,13H,1,8,10-11H2,2-6H3

HIDE SMILES / InChI

Molecular Formula C15H26O2
Molecular Weight 238.3657
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 isovalerate.
2003 Jul
Patents

Patents

Substance Class Chemical
Created
by admin
on Fri Dec 15 17:51:21 GMT 2023
Edited
by admin
on Fri Dec 15 17:51:21 GMT 2023
Record UNII
1X8S4K3UQ9
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
LINALYL ISOVALERATE
FHFI  
Systematic Name English
ISOVALERIC ACID, 1,5-DIMETHYL-1-VINYL-4-HEXENYL ESTER
Common Name English
1,6-OCTADIEN-3-OL, 3,7-DIMETHYL-, ISOVALERATE
Systematic Name English
ISOVALERIC ACID, LINALYL ESTER
Common Name English
3,7-DIMETHYL-1,6-OCTADIEN-3-YL ISOVALERATE
Systematic Name English
LINALYL-3-METHYLBUTANOATE
Systematic Name English
BUTANOIC ACID, 3-METHYL-, 1-ETHENYL-1,5-DIMETHYL-4-HEXEN-1-YL ESTER
Common Name English
BUTANOIC ACID, 3-METHYL-, 1-ETHENYL-1,5-DIMETHYL-4-HEXENYL ESTER
Common Name English
LINALYL ISOVALERATE [FHFI]
Common Name English
FEMA NO. 2646
Code English
LINALYL ISOPENTANOATE
Systematic Name English
Classification Tree Code System Code
JECFA EVALUATION LINALYL ISOVALERATE
Created by admin on Fri Dec 15 17:51:21 GMT 2023 , Edited by admin on Fri Dec 15 17:51:21 GMT 2023
CFR 21 CFR 172.515
Created by admin on Fri Dec 15 17:51:21 GMT 2023 , Edited by admin on Fri Dec 15 17:51:21 GMT 2023
Code System Code Type Description
PUBCHEM
240119
Created by admin on Fri Dec 15 17:51:21 GMT 2023 , Edited by admin on Fri Dec 15 17:51:21 GMT 2023
PRIMARY
CAS
1118-27-0
Created by admin on Fri Dec 15 17:51:21 GMT 2023 , Edited by admin on Fri Dec 15 17:51:21 GMT 2023
PRIMARY
MESH
C475600
Created by admin on Fri Dec 15 17:51:21 GMT 2023 , Edited by admin on Fri Dec 15 17:51:21 GMT 2023
PRIMARY
EPA CompTox
DTXSID5047160
Created by admin on Fri Dec 15 17:51:21 GMT 2023 , Edited by admin on Fri Dec 15 17:51:21 GMT 2023
PRIMARY
ECHA (EC/EINECS)
214-259-4
Created by admin on Fri Dec 15 17:51:21 GMT 2023 , Edited by admin on Fri Dec 15 17:51:21 GMT 2023
PRIMARY
FDA UNII
1X8S4K3UQ9
Created by admin on Fri Dec 15 17:51:21 GMT 2023 , Edited by admin on Fri Dec 15 17:51:21 GMT 2023
PRIMARY
JECFA MONOGRAPH
77
Created by admin on Fri Dec 15 17:51:21 GMT 2023 , Edited by admin on Fri Dec 15 17:51:21 GMT 2023
PRIMARY