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Details

Stereochemistry ACHIRAL
Molecular Formula C8H16O2
Molecular Weight 144.2114
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ISOBUTYL ISOBUTYRATE

SMILES

CC(C)COC(=O)C(C)C

InChI

InChIKey=RXGUIWHIADMCFC-UHFFFAOYSA-N
InChI=1S/C8H16O2/c1-6(2)5-10-8(9)7(3)4/h6-7H,5H2,1-4H3

HIDE SMILES / InChI
Molecular Formula C8H16O2
Molecular Weight 144.2114
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Unknown
149124
Patents

Patents

20020005503
9
JP4800480B2
1
Substance Class Chemical
Created
by admin
on Mon Mar 31 19:02:28 GMT 2025
Edited
by admin
on Mon Mar 31 19:02:28 GMT 2025
Record UNII
Y495J99R5D
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ISOBUTYL ISOBUTYRATE
FHFI   MI   USP-RS  
Systematic Name English
2-METHYLPROPYL ISOBUTYRATE
HSDB  
Preferred Name English
2-METHYLPROPYL ISOBUTYRATE [HSDB]
Common Name English
NSC-6538
Code English
ISOBUTYL 2-METHYLPROPANOATE
Systematic Name English
ISOBUTYLESTER KYSELINY ISOMASELNE
Common Name English
ISOBUTYL ISOBUTYRATE [FHFI]
Common Name English
2-METHYLPROPIONIC ACID ISOBUTYL ESTER
Systematic Name English
PROPANOIC ACID, 2-METHYL-, 2-METHYLPROPYL ESTER
Common Name English
ISOBUTYL ISOBUTYRATE [MI]
Common Name English
ISOBUTYL ISOBUTANOATE
Systematic Name English
2-METHYLPROPYL 2-METHYLPROPANOATE
Systematic Name English
ISOBUTYRIC ACID, ISOBUTYL ESTER
Common Name English
FEMA NO. 2189
Code English
2-METHYLPROPYL 2-METHYLPROPIONATE
Systematic Name English
ISOBUTYL ISOBUTYRATE [USP-RS]
Common Name English
Classification Tree Code System Code
CFR 21 CFR 172.515
Created by admin on Mon Mar 31 19:02:28 GMT 2025 , Edited by admin on Mon Mar 31 19:02:28 GMT 2025
JECFA EVALUATION ISOBUTYL ISOBUTYRATE
Created by admin on Mon Mar 31 19:02:28 GMT 2025 , Edited by admin on Mon Mar 31 19:02:28 GMT 2025
Code System Code Type Description
RS_ITEM_NUM
1347835
Created by admin on Mon Mar 31 19:02:28 GMT 2025 , Edited by admin on Mon Mar 31 19:02:28 GMT 2025
PRIMARY
PUBCHEM
7351
Created by admin on Mon Mar 31 19:02:28 GMT 2025 , Edited by admin on Mon Mar 31 19:02:28 GMT 2025
PRIMARY
CAS
97-85-8
Created by admin on Mon Mar 31 19:02:28 GMT 2025 , Edited by admin on Mon Mar 31 19:02:28 GMT 2025
PRIMARY
MERCK INDEX
m6460
Created by admin on Mon Mar 31 19:02:28 GMT 2025 , Edited by admin on Mon Mar 31 19:02:28 GMT 2025
PRIMARY Merck Index
HSDB
5311
Created by admin on Mon Mar 31 19:02:28 GMT 2025 , Edited by admin on Mon Mar 31 19:02:28 GMT 2025
PRIMARY
NSC
6538
Created by admin on Mon Mar 31 19:02:28 GMT 2025 , Edited by admin on Mon Mar 31 19:02:28 GMT 2025
PRIMARY
ECHA (EC/EINECS)
202-612-5
Created by admin on Mon Mar 31 19:02:28 GMT 2025 , Edited by admin on Mon Mar 31 19:02:28 GMT 2025
PRIMARY
SMS_ID
300000053386
Created by admin on Mon Mar 31 19:02:28 GMT 2025 , Edited by admin on Mon Mar 31 19:02:28 GMT 2025
PRIMARY
JECFA MONOGRAPH
200
Created by admin on Mon Mar 31 19:02:28 GMT 2025 , Edited by admin on Mon Mar 31 19:02:28 GMT 2025
PRIMARY
FDA UNII
Y495J99R5D
Created by admin on Mon Mar 31 19:02:28 GMT 2025 , Edited by admin on Mon Mar 31 19:02:28 GMT 2025
PRIMARY
EPA CompTox
DTXSID6026612
Created by admin on Mon Mar 31 19:02:28 GMT 2025 , Edited by admin on Mon Mar 31 19:02:28 GMT 2025
PRIMARY
NIH
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