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Details

Stereochemistry RACEMIC
Molecular Formula C14H24O2
Molecular Weight 224.3392
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of LINALYL ISOBUTYRATE

SMILES

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

InChI

InChIKey=JZIARAQCPRDGAC-UHFFFAOYSA-N
InChI=1S/C14H24O2/c1-7-14(6,10-8-9-11(2)3)16-13(15)12(4)5/h7,9,12H,1,8,10H2,2-6H3

HIDE SMILES / InChI

Molecular Formula C14H24O2
Molecular Weight 224.3392
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 isobutyrate.
2003 Jul
Substance Class Chemical
Created
by admin
on Fri Dec 15 18:06:34 GMT 2023
Edited
by admin
on Fri Dec 15 18:06:34 GMT 2023
Record UNII
8867Y4G46L
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
LINALYL ISOBUTYRATE
FCC   FHFI  
Systematic Name English
NSC-46145
Code English
LINALYL ISOBUTYRATE [FCC]
Common Name English
PROPANOIC ACID, 2-METHYL-, 1-ETHENYL-1,5-DIMETHYL-4-HEXEN-1-YL ESTER
Common Name English
ISOBUTYRIC ACID, 1,5-DIMETHYL-1-VINYL-4-HEXENYL ESTER
Common Name English
1,6-OCTADIEN-3-OL, 3,7-DIMETHYL-, ISOBUTYRATE
Systematic Name English
LINALYL ISOBUTYRATE [FHFI]
Common Name English
ISOBUTYRIC ACID, LINALYL ESTER
Common Name English
LINALOOL ISOBUTYRATE
Systematic Name English
FEMA NO. 2640
Code English
PROPANOIC ACID, 2-METHYL-, 1-ETHENYL-1,5-DIMETHYL-4-HEXENYL ESTER
Common Name English
Classification Tree Code System Code
JECFA EVALUATION LINALYL ISOBUTYRATE
Created by admin on Fri Dec 15 18:06:34 GMT 2023 , Edited by admin on Fri Dec 15 18:06:34 GMT 2023
CFR 21 CFR 172.515
Created by admin on Fri Dec 15 18:06:34 GMT 2023 , Edited by admin on Fri Dec 15 18:06:34 GMT 2023
Code System Code Type Description
SMS_ID
100000184098
Created by admin on Fri Dec 15 18:06:34 GMT 2023 , Edited by admin on Fri Dec 15 18:06:34 GMT 2023
PRIMARY
CAS
78-35-3
Created by admin on Fri Dec 15 18:06:34 GMT 2023 , Edited by admin on Fri Dec 15 18:06:34 GMT 2023
PRIMARY
MESH
C475599
Created by admin on Fri Dec 15 18:06:34 GMT 2023 , Edited by admin on Fri Dec 15 18:06:34 GMT 2023
PRIMARY
FDA UNII
8867Y4G46L
Created by admin on Fri Dec 15 18:06:34 GMT 2023 , Edited by admin on Fri Dec 15 18:06:34 GMT 2023
PRIMARY
PUBCHEM
6532
Created by admin on Fri Dec 15 18:06:34 GMT 2023 , Edited by admin on Fri Dec 15 18:06:34 GMT 2023
PRIMARY
JECFA MONOGRAPH
355
Created by admin on Fri Dec 15 18:06:34 GMT 2023 , Edited by admin on Fri Dec 15 18:06:34 GMT 2023
PRIMARY
EPA CompTox
DTXSID6047490
Created by admin on Fri Dec 15 18:06:34 GMT 2023 , Edited by admin on Fri Dec 15 18:06:34 GMT 2023
PRIMARY
NSC
46145
Created by admin on Fri Dec 15 18:06:34 GMT 2023 , Edited by admin on Fri Dec 15 18:06:34 GMT 2023
PRIMARY
ECHA (EC/EINECS)
201-108-2
Created by admin on Fri Dec 15 18:06:34 GMT 2023 , Edited by admin on Fri Dec 15 18:06:34 GMT 2023
PRIMARY