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Details

Stereochemistry ACHIRAL
Molecular Formula C12H20O2
Molecular Weight 196.286
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of NERYL ACETATE

SMILES

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

InChI

InChIKey=HIGQPQRQIQDZMP-FLIBITNWSA-N
InChI=1S/C12H20O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h6,8H,5,7,9H2,1-4H3/b11-8-

HIDE SMILES / InChI

Molecular Formula C12H20O2
Molecular Weight 196.286
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Expression and characterization of a lepidopteran general odorant binding protein.
1997 May
Volatile ester formation in roses. Identification of an acetyl-coenzyme A. Geraniol/Citronellol acetyltransferase in developing rose petals.
2003 Apr
Screening of terpenes and derivatives for antimycobacterial activity; identification of geranylgeraniol and geranylgeranyl acetate as potent inhibitors of Mycobacterium tuberculosis in vitro.
2007 Oct
Antinociceptive Activity and Redox Profile of the Monoterpenes (+)-Camphene, p-Cymene, and Geranyl Acetate in Experimental Models.
2013
Small molecules inhibit growth, viability and ergosterol biosynthesis in Candida albicans.
2013 Dec
Patents
Substance Class Chemical
Created
by admin
on Thu Jul 06 00:26:10 UTC 2023
Edited
by admin
on Thu Jul 06 00:26:10 UTC 2023
Record UNII
OF82IJU18H
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NERYL ACETATE
FCC   FHFI  
Systematic Name English
CIS-GERANYL ACETATE
Common Name English
2,6-OCTADIEN-1-OL, 3,7-DIMETHYL-, ACETATE, (2Z)-
Systematic Name English
NSC-72031
Code English
NERYL ACETATE [FCC]
Common Name English
NERYL ACETATE [FHFI]
Common Name English
NEROL ACETATE
Systematic Name English
2,6-OCTADIEN-1-OL, 3,7-DIMETHYL-, 1-ACETATE, (2Z)-
Common Name English
CIS-1-ACETOXY-3,7-DIMETHYL-2,6-OCTADIENE
Common Name English
CIS-3,7-DIMETHYL-2,6-OCTADIEN-1-YL ACETATE
Common Name English
FEMA NO. 2773
Code English
Classification Tree Code System Code
CFR 21 CFR 172.515
Created by admin on Thu Jul 06 00:26:10 UTC 2023 , Edited by admin on Thu Jul 06 00:26:10 UTC 2023
JECFA EVALUATION NERYL ACETATE
Created by admin on Thu Jul 06 00:26:11 UTC 2023 , Edited by admin on Thu Jul 06 00:26:11 UTC 2023
Code System Code Type Description
WIKIPEDIA
NERYL ACETATE
Created by admin on Thu Jul 06 00:26:11 UTC 2023 , Edited by admin on Thu Jul 06 00:26:11 UTC 2023
PRIMARY
NSC
72031
Created by admin on Thu Jul 06 00:26:11 UTC 2023 , Edited by admin on Thu Jul 06 00:26:11 UTC 2023
PRIMARY
CAS
141-12-8
Created by admin on Thu Jul 06 00:26:10 UTC 2023 , Edited by admin on Thu Jul 06 00:26:10 UTC 2023
PRIMARY
EPA CompTox
DTXSID2047068
Created by admin on Thu Jul 06 00:26:11 UTC 2023 , Edited by admin on Thu Jul 06 00:26:11 UTC 2023
PRIMARY
SMS_ID
100000138106
Created by admin on Thu Jul 06 00:26:11 UTC 2023 , Edited by admin on Thu Jul 06 00:26:11 UTC 2023
PRIMARY
RXCUI
2395766
Created by admin on Thu Jul 06 00:26:11 UTC 2023 , Edited by admin on Thu Jul 06 00:26:11 UTC 2023
PRIMARY
ECHA (EC/EINECS)
205-459-2
Created by admin on Thu Jul 06 00:26:11 UTC 2023 , Edited by admin on Thu Jul 06 00:26:11 UTC 2023
PRIMARY
CHEBI
141210
Created by admin on Thu Jul 06 00:26:11 UTC 2023 , Edited by admin on Thu Jul 06 00:26:11 UTC 2023
PRIMARY
FDA UNII
OF82IJU18H
Created by admin on Thu Jul 06 00:26:11 UTC 2023 , Edited by admin on Thu Jul 06 00:26:11 UTC 2023
PRIMARY
EVMPD
SUB77427
Created by admin on Thu Jul 06 00:26:10 UTC 2023 , Edited by admin on Thu Jul 06 00:26:10 UTC 2023
PRIMARY
DAILYMED
OF82IJU18H
Created by admin on Thu Jul 06 00:26:11 UTC 2023 , Edited by admin on Thu Jul 06 00:26:11 UTC 2023
PRIMARY
PUBCHEM
1549025
Created by admin on Thu Jul 06 00:26:11 UTC 2023 , Edited by admin on Thu Jul 06 00:26:11 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> CONSTITUENT ALWAYS PRESENT
ASSAY (GC)