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Details

Stereochemistry ACHIRAL
Molecular Formula C10H20O2
Molecular Weight 172.2646
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ISOAMYL ISOVALERATE

SMILES

CC(C)CCOC(=O)CC(C)C

InChI

InChIKey=XINCECQTMHSORG-UHFFFAOYSA-N
InChI=1S/C10H20O2/c1-8(2)5-6-12-10(11)7-9(3)4/h8-9H,5-7H2,1-4H3

HIDE SMILES / InChI
Molecular Formula C10H20O2
Molecular Weight 172.2646
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Unknown
139594
PubMed

PubMed

TitleDatePubMed
Substance Class Chemical
Created
by admin
on Fri Dec 15 17:31:48 GMT 2023
Edited
by admin
on Fri Dec 15 17:31:48 GMT 2023
Record UNII
16M1VA1FJY
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ISOAMYL ISOVALERATE
FCC   FHFI   MI  
Systematic Name English
3-METHYLBUTYL 3-METHYLBUTANOATE
Systematic Name English
BUTANOIC ACID, 3-METHYL-, 3-METHYLBUTYL ESTER
Common Name English
ISOPENTYL 3-METHYLBUTANOATE
Systematic Name English
FEMA NO. 2085
Code English
ISOVALERIC ACID, ISOPENTYL ESTER
Common Name English
ISOAMYL ISOVALERATE [FHFI]
Common Name English
ISOPENTYL ISOPENTANOATE
Systematic Name English
ISOAMYL ISOVALERATE [FCC]
Common Name English
ISOAMYL ISOVALERATE [MI]
Common Name English
ISOAMYL 3-METHYLBUTANOATE
Systematic Name English
NSC-6565
Code English
3-METHYLBUTYL ISOVALERATE
Systematic Name English
SOLUSTEROL
Common Name English
Classification Tree Code System Code
JECFA EVALUATION ISOAMYL ISOVALERATE
Created by admin on Fri Dec 15 17:31:48 GMT 2023 , Edited by admin on Fri Dec 15 17:31:48 GMT 2023
CFR 21 CFR 172.515
Created by admin on Fri Dec 15 17:31:48 GMT 2023 , Edited by admin on Fri Dec 15 17:31:48 GMT 2023
Code System Code Type Description
PUBCHEM
12613
Created by admin on Fri Dec 15 17:31:48 GMT 2023 , Edited by admin on Fri Dec 15 17:31:48 GMT 2023
PRIMARY
FDA UNII
16M1VA1FJY
Created by admin on Fri Dec 15 17:31:48 GMT 2023 , Edited by admin on Fri Dec 15 17:31:48 GMT 2023
PRIMARY
MERCK INDEX
m6436
Created by admin on Fri Dec 15 17:31:48 GMT 2023 , Edited by admin on Fri Dec 15 17:31:48 GMT 2023
PRIMARY Merck Index
CAS
659-70-1
Created by admin on Fri Dec 15 17:31:48 GMT 2023 , Edited by admin on Fri Dec 15 17:31:48 GMT 2023
PRIMARY
EVMPD
SUB121013
Created by admin on Fri Dec 15 17:31:48 GMT 2023 , Edited by admin on Fri Dec 15 17:31:48 GMT 2023
PRIMARY
NSC
6565
Created by admin on Fri Dec 15 17:31:48 GMT 2023 , Edited by admin on Fri Dec 15 17:31:48 GMT 2023
PRIMARY
SMS_ID
100000137699
Created by admin on Fri Dec 15 17:31:48 GMT 2023 , Edited by admin on Fri Dec 15 17:31:48 GMT 2023
PRIMARY
ECHA (EC/EINECS)
211-536-1
Created by admin on Fri Dec 15 17:31:48 GMT 2023 , Edited by admin on Fri Dec 15 17:31:48 GMT 2023
PRIMARY
EPA CompTox
DTXSID8044757
Created by admin on Fri Dec 15 17:31:48 GMT 2023 , Edited by admin on Fri Dec 15 17:31:48 GMT 2023
PRIMARY
EVMPD
SUB76259
Created by admin on Fri Dec 15 17:31:48 GMT 2023 , Edited by admin on Fri Dec 15 17:31:48 GMT 2023
PRIMARY
JECFA MONOGRAPH
297
Created by admin on Fri Dec 15 17:31:48 GMT 2023 , Edited by admin on Fri Dec 15 17:31:48 GMT 2023
PRIMARY
NIH
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