2-ETHYLHEXYL ISOBUTYRATE

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NCATS

Details

Stereochemistry	RACEMIC
Molecular Formula	C12H24O2
Molecular Weight	200.3178
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2-ETHYLHEXYL ISOBUTYRATE

Structure Search

SMILES

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

InChI

InChIKey=FTYSFPPFCAOKDQ-UHFFFAOYSA-N

InChI=1S/C12H24O2/c1-5-7-8-11(6-2)9-14-12(13)10(3)4/h10-11H,5-9H2,1-4H3

HIDE SMILES / InChI

Molecular Formula	C12H24O2
Molecular Weight	200.3178
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:47:47 GMT 2023` Edited by `admin` on `Sat Dec 16 10:47:47 GMT 2023`
Record UNII	W41ITH657B
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2-ETHYLHEXYL ISOBUTYRATE

Systematic Name

English

PROPANOIC ACID, 2-METHYL-, 2-ETHYLHEXYL ESTER

Systematic Name

English

Code System Code Type Description

FDA UNII

W41ITH657B

Created by admin on Sat Dec 16 10:47:47 GMT 2023 , Edited by admin on Sat Dec 16 10:47:47 GMT 2023

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PUBCHEM

118207

Created by admin on Sat Dec 16 10:47:47 GMT 2023 , Edited by admin on Sat Dec 16 10:47:47 GMT 2023

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EPA CompTox

DTXSID30956506

Created by admin on Sat Dec 16 10:47:47 GMT 2023 , Edited by admin on Sat Dec 16 10:47:47 GMT 2023

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CAS

35061-61-1

Created by admin on Sat Dec 16 10:47:47 GMT 2023 , Edited by admin on Sat Dec 16 10:47:47 GMT 2023

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ECHA (EC/EINECS)

252-341-1

Created by admin on Sat Dec 16 10:47:47 GMT 2023 , Edited by admin on Sat Dec 16 10:47:47 GMT 2023

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