2,2,4-TRIMETHYL-1,3-PENTANEDIOL 3-ISOBUTYRATE

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NCATS

Details

Stereochemistry	RACEMIC
Molecular Formula	C12H24O3
Molecular Weight	216.3172
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2,2,4-TRIMETHYL-1,3-PENTANEDIOL 3-ISOBUTYRATE

Structure Search

SMILES

CC(C)C(OC(=O)C(C)C)C(C)(C)CO

InChI

InChIKey=OMIPYZUJVKWOLI-UHFFFAOYSA-N

InChI=1S/C12H24O3/c1-8(2)10(12(5,6)7-13)15-11(14)9(3)4/h8-10,13H,7H2,1-6H3

HIDE SMILES / InChI

Approval Year

Patents

Patents

Name

Type

Language

2,2,4-TRIMETHYL-1,3-PENTANEDIOL 3-ISOBUTYRATE

Common Name

English

(±)-2,2,4-TRIMETHYL-1,3-PENTANEDIOL 3-ISOBUTYRATE

Common Name

English

PROPANOIC ACID, 2-METHYL-, 3-HYDROXY-2,2-DIMETHYL-1-(1-METHYLETHYL)PROPYL ESTER

Common Name

English

ISOBUTYRIC ACID, 3-HYDROXY-1-ISOPROPYL-2,2-DIMETHYLPROPYL ESTER

Common Name

English

2,2,4-TRIMETHYL-1,3-PENTANEDIOL 3-ISOBUTYRATE, (±)-

Common Name

English

1-HYDROXY-2,2,4-TRIMETHYLPENTYL 3-ISOBUTYRATE

Common Name

English

1,3-PENTANEDIOL, 2,2,4-TRIMETHYL-, 3-ISOBUTYRATE

Common Name

English

Code System Code Type Description

PUBCHEM

86755

Created by admin on Sat Dec 16 01:34:32 GMT 2023 , Edited by admin on Sat Dec 16 01:34:32 GMT 2023

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FDA UNII

9J6J5RYM63

Created by admin on Sat Dec 16 01:34:32 GMT 2023 , Edited by admin on Sat Dec 16 01:34:32 GMT 2023

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EPA CompTox

DTXSID50872294

Created by admin on Sat Dec 16 01:34:32 GMT 2023 , Edited by admin on Sat Dec 16 01:34:32 GMT 2023

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ECHA (EC/EINECS)

242-375-5

Created by admin on Sat Dec 16 01:34:32 GMT 2023 , Edited by admin on Sat Dec 16 01:34:32 GMT 2023

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CAS

18491-15-1

Created by admin on Sat Dec 16 01:34:32 GMT 2023 , Edited by admin on Sat Dec 16 01:34:32 GMT 2023

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SUBSTANCE RECORD


					9J6J5RYM63

2,2,4-TRIMETHYL-1,3-PENTANEDIOL 3-ISOBUTYRATE