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Details

Stereochemistry ACHIRAL
Molecular Formula C6H12O2
Molecular Weight 116.1583
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ISOBUTYL ACETATE

SMILES

CC(C)COC(C)=O

InChI

InChIKey=GJRQTCIYDGXPES-UHFFFAOYSA-N
InChI=1S/C6H12O2/c1-5(2)4-8-6(3)7/h5H,4H2,1-3H3

HIDE SMILES / InChI
Molecular Formula C6H12O2
Molecular Weight 116.1583
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

2015
472
PubMed

PubMed

TitleDatePubMed
A comparison of laboratory and pilot-scale fermentations in winemaking conditions.
2010-08
Reduction of oxidative cellular damage by overexpression of the thioredoxin TRX2 gene improves yield and quality of wine yeast dry active biomass.
2010-02-12
Branched-chain and aromatic amino acid catabolism into aroma volatiles in Cucumis melo L. fruit.
2010-02
Carboxylic ester hydrolases from hyperthermophiles.
2009-07
Flavour compounds in tomato fruits: identification of loci and potential pathways affecting volatile composition.
2009
The effect of inhaling thinner and/or cigarette smoke on rat kidneys.
2007-03
Paint thinner exposure inhibits testosterone synthesis and secretion in a reversible manner in the rat.
2006-11
Influence of volatile compounds produced by yeasts predominant during processing of Coffea arabica in East Africa on growth and ochratoxin A (OTA) production by Aspergillus ochraceus.
2005-10-30
Vapor-phase analysis of isobutyl acetate, isopropyl acetate, n-propyl acetate and their respective alcohols using solid-phase microextraction-gas chromatography with a mass selective detector.
2005-02-25
Production of volatile organic sulfur compounds (VOSCs) by basidiomycetous yeasts.
2005-02
A study on volatile organic compounds (VOCs) produced by tropical ascomycetous yeasts.
2003
Effect of wild strains of Lactococcus lactis on the volatile profile and the sensory characteristics of ewes' raw milk cheese.
2002-12
Aromatic profile of aqueous banana essence and banana fruit by gas chromatography-mass spectrometry (GC-MS) and gas chromatography-olfactometry (GC-O).
2001-10
Integrated bioprocess for enhanced production of natural flavors and fragrances by Ceratocystis moniliformis.
2001-05
Patents

Patents

03962378
1
07247751
3
07683177
2
08796471
1
JP2007063227A
1
JP2007527434A
3
JP2011001351A
4
JPH01243994A
1
JPH06256704A
1
Substance Class Chemical
Created
by admin
on Mon Mar 31 18:40:08 GMT 2025
Edited
by admin
on Mon Mar 31 18:40:08 GMT 2025
Record UNII
7CR47FO6LF
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ISOBUTYL ACETATE
FCC   FHFI   HSDB   INCI   MI   USP-RS  
INCI  
Official Name English
FEMA NO. 2175
Preferred Name English
NSC-8035
Code English
ACETIC ACID, 2-METHYLPROPYL ESTER
Common Name English
ACETIC ACID, ISOBUTYL ESTER
Common Name English
ISOBUTYL ACETATE (NATURAL)
Common Name English
2-METHYLPROPYL ACETATE
Systematic Name English
ISOBUTYL ACETATE [MI]
Common Name English
ISOBUTYL ACETATE [HSDB]
Common Name English
ISOBUTYL ACETATE [USP-RS]
Common Name English
ISOBUTYL ACETATE [FHFI]
Common Name English
ISOBUTYL ACETATE [FCC]
Common Name English
Classification Tree Code System Code
JECFA EVALUATION ISOBUTYL ACETATE
Created by admin on Mon Mar 31 18:40:08 GMT 2025 , Edited by admin on Mon Mar 31 18:40:08 GMT 2025
CFR 21 CFR 172.515
Created by admin on Mon Mar 31 18:40:08 GMT 2025 , Edited by admin on Mon Mar 31 18:40:08 GMT 2025
Code System Code Type Description
EPA CompTox
DTXSID5026837
Created by admin on Mon Mar 31 18:40:08 GMT 2025 , Edited by admin on Mon Mar 31 18:40:08 GMT 2025
PRIMARY
HSDB
609
Created by admin on Mon Mar 31 18:40:08 GMT 2025 , Edited by admin on Mon Mar 31 18:40:08 GMT 2025
PRIMARY
DAILYMED
7CR47FO6LF
Created by admin on Mon Mar 31 18:40:08 GMT 2025 , Edited by admin on Mon Mar 31 18:40:08 GMT 2025
PRIMARY
MERCK INDEX
m6445
Created by admin on Mon Mar 31 18:40:08 GMT 2025 , Edited by admin on Mon Mar 31 18:40:08 GMT 2025
PRIMARY Merck Index
ECHA (EC/EINECS)
203-745-1
Created by admin on Mon Mar 31 18:40:08 GMT 2025 , Edited by admin on Mon Mar 31 18:40:08 GMT 2025
PRIMARY
PUBCHEM
8038
Created by admin on Mon Mar 31 18:40:08 GMT 2025 , Edited by admin on Mon Mar 31 18:40:08 GMT 2025
PRIMARY
RS_ITEM_NUM
1347802
Created by admin on Mon Mar 31 18:40:08 GMT 2025 , Edited by admin on Mon Mar 31 18:40:08 GMT 2025
PRIMARY
NSC
8035
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PRIMARY
EVMPD
SUB69233
Created by admin on Mon Mar 31 18:40:08 GMT 2025 , Edited by admin on Mon Mar 31 18:40:08 GMT 2025
PRIMARY
CHEBI
50569
Created by admin on Mon Mar 31 18:40:08 GMT 2025 , Edited by admin on Mon Mar 31 18:40:08 GMT 2025
PRIMARY
CAS
110-19-0
Created by admin on Mon Mar 31 18:40:08 GMT 2025 , Edited by admin on Mon Mar 31 18:40:08 GMT 2025
PRIMARY
FDA UNII
7CR47FO6LF
Created by admin on Mon Mar 31 18:40:08 GMT 2025 , Edited by admin on Mon Mar 31 18:40:08 GMT 2025
PRIMARY
RXCUI
1603476
Created by admin on Mon Mar 31 18:40:08 GMT 2025 , Edited by admin on Mon Mar 31 18:40:08 GMT 2025
PRIMARY RxNorm
WIKIPEDIA
ISOBUTYL ACETATE
Created by admin on Mon Mar 31 18:40:08 GMT 2025 , Edited by admin on Mon Mar 31 18:40:08 GMT 2025
PRIMARY
SMS_ID
100000134999
Created by admin on Mon Mar 31 18:40:08 GMT 2025 , Edited by admin on Mon Mar 31 18:40:08 GMT 2025
PRIMARY
MESH
C038989
Created by admin on Mon Mar 31 18:40:08 GMT 2025 , Edited by admin on Mon Mar 31 18:40:08 GMT 2025
PRIMARY
JECFA MONOGRAPH
235
Created by admin on Mon Mar 31 18:40:08 GMT 2025 , Edited by admin on Mon Mar 31 18:40:08 GMT 2025
PRIMARY
NIH
NCATS
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