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Details

Stereochemistry ACHIRAL
Molecular Formula C9H18O2
Molecular Weight 158.238
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of METHYL OCTANOATE

SMILES

CCCCCCCC(=O)OC

InChI

InChIKey=JGHZJRVDZXSNKQ-UHFFFAOYSA-N
InChI=1S/C9H18O2/c1-3-4-5-6-7-8-9(10)11-2/h3-8H2,1-2H3

HIDE SMILES / InChI

Approval Year

PubMed

PubMed

TitleDatePubMed
Determination of volatile fatty acid ethyl esters in raw spirits using solid phase microextraction and gas chromatography.
2008 Apr 14
Patents

Patents

Name Type Language
METHYL OCTANOATE
FHFI  
Systematic Name English
OCTANOIC ACID METHYL ESTER
Systematic Name English
CAPRYLIC ACID METHYL ESTER
Systematic Name English
METHYL CAPRYLATE [INCI]
Common Name English
OCTANOIC ACID, METHYL ESTER
HSDB  
Common Name English
OCTANOIC ACID, METHYL ESTER [HSDB]
Common Name English
FEMA NO. 2728
Code English
NSC-3710
Code English
METHYL OCTANOATE [FHFI]
Common Name English
METHYL CAPRYLATE
INCI   USP-RS  
INCI  
Official Name English
METHYL CAPRYLATE [USP-RS]
Common Name English
Classification Tree Code System Code
JECFA EVALUATION METHYL OCTANOATE
Created by admin on Fri Dec 15 18:53:06 GMT 2023 , Edited by admin on Fri Dec 15 18:53:06 GMT 2023
CFR 21 CFR 172.515
Created by admin on Fri Dec 15 18:53:06 GMT 2023 , Edited by admin on Fri Dec 15 18:53:06 GMT 2023
Code System Code Type Description
CHEBI
87432
Created by admin on Fri Dec 15 18:53:06 GMT 2023 , Edited by admin on Fri Dec 15 18:53:06 GMT 2023
PRIMARY
ECHA (EC/EINECS)
203-835-0
Created by admin on Fri Dec 15 18:53:06 GMT 2023 , Edited by admin on Fri Dec 15 18:53:06 GMT 2023
PRIMARY
NSC
3710
Created by admin on Fri Dec 15 18:53:06 GMT 2023 , Edited by admin on Fri Dec 15 18:53:06 GMT 2023
PRIMARY
EPA CompTox
DTXSID2026864
Created by admin on Fri Dec 15 18:53:06 GMT 2023 , Edited by admin on Fri Dec 15 18:53:06 GMT 2023
PRIMARY
JECFA MONOGRAPH
220
Created by admin on Fri Dec 15 18:53:06 GMT 2023 , Edited by admin on Fri Dec 15 18:53:06 GMT 2023
PRIMARY
PUBCHEM
8091
Created by admin on Fri Dec 15 18:53:06 GMT 2023 , Edited by admin on Fri Dec 15 18:53:06 GMT 2023
PRIMARY
RS_ITEM_NUM
1424255
Created by admin on Fri Dec 15 18:53:06 GMT 2023 , Edited by admin on Fri Dec 15 18:53:06 GMT 2023
PRIMARY
SMS_ID
100000173438
Created by admin on Fri Dec 15 18:53:06 GMT 2023 , Edited by admin on Fri Dec 15 18:53:06 GMT 2023
PRIMARY
FDA UNII
7MO740X6QL
Created by admin on Fri Dec 15 18:53:06 GMT 2023 , Edited by admin on Fri Dec 15 18:53:06 GMT 2023
PRIMARY
CAS
111-11-5
Created by admin on Fri Dec 15 18:53:06 GMT 2023 , Edited by admin on Fri Dec 15 18:53:06 GMT 2023
PRIMARY
HSDB
5544
Created by admin on Fri Dec 15 18:53:06 GMT 2023 , Edited by admin on Fri Dec 15 18:53:06 GMT 2023
PRIMARY