ISOAMYL ISOBUTYRATE

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

SMILES

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

InChI

InChIKey=VFTGLSWXJMRZNB-UHFFFAOYSA-N

InChI=1S/C9H18O2/c1-7(2)5-6-11-9(10)8(3)4/h7-8H,5-6H2,1-4H3

HIDE SMILES / InChI

Approval Year

PubMed

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Title	Date	PubMed
Comparison of estimation capabilities of response surface methodology (RSM) with artificial neural network (ANN) in lipase-catalyzed synthesis of palm-based wax ester.	2007 Aug 30	17760990
Volatile compounds secreted by Brindley's glands of adult Triatoma infestans: identification and biological activity of previously unidentified compounds.	2007 Jun	17633428

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Patents

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Name

Type

Language

ISOAMYL ISOBUTYRATE

Systematic Name

English

3-METHYLBUTYL ISOBUTYRATE

Systematic Name

English

ISOAMYL 2-METHYLPROPANOATE

Systematic Name

English

3-METHYLBUTYL 2-METHYLPROPANOATE [FHFI]

Common Name

English

3-METHYL-1-BUTYL ISOBUTYRATE

Systematic Name

English

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Classification Tree

Code System

Code

Subpart F--Flavoring Agents and Related Substances

CFR

21 CFR 172.515

FUNCTIONAL CLASSIFICATION

JECFA EVALUATION

ISOAMYL ISOBUTYRATE

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Code System

Code

Type

Description

ECHA (EC/EINECS)

218-078-1

PRIMARY

FDA UNII

RF0ZT103EG

PRIMARY

CHEBI

87537

PRIMARY

PUBCHEM

519786

PRIMARY

CAS

2050-01-3

PRIMARY

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SUBSTANCE RECORD


					RF0ZT103EG

ISOAMYL ISOBUTYRATE