1,1-DI-ISOBUTOXY-3-METHYLBUTANE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C13H28O2
Molecular Weight	216.3602
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 1,1-DI-ISOBUTOXY-3-METHYLBUTANE

Structure Search

SMILES

CC(C)COC(CC(C)C)OCC(C)C

InChI

InChIKey=XQJQKXSIFKNEPF-UHFFFAOYSA-N

InChI=1S/C13H28O2/c1-10(2)7-13(14-8-11(3)4)15-9-12(5)6/h10-13H,7-9H2,1-6H3

HIDE SMILES / InChI

Molecular Formula	C13H28O2
Molecular Weight	216.3602
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 22:30:48 GMT 2025` Edited by `admin` on `Mon Mar 31 22:30:48 GMT 2025`
Record UNII	H8F660V8EX
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

1,1-DI-ISOBUTOXY-3-METHYLBUTANE

Systematic Name

English

BUTANE, 3-METHYL-1,1-BIS(2-METHYLPROPOXY)

Preferred Name

English

ISOVALERALDEHYDE, DIISOBUTYL ACETAL

Common Name

English

Code System Code Type Description

CAS

13439-98-0

Created by admin on Mon Mar 31 22:30:48 GMT 2025 , Edited by admin on Mon Mar 31 22:30:48 GMT 2025

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ECHA (EC/EINECS)

236-577-2

Created by admin on Mon Mar 31 22:30:48 GMT 2025 , Edited by admin on Mon Mar 31 22:30:48 GMT 2025

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EPA CompTox

DTXSID30158684

Created by admin on Mon Mar 31 22:30:48 GMT 2025 , Edited by admin on Mon Mar 31 22:30:48 GMT 2025

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FDA UNII

H8F660V8EX

Created by admin on Mon Mar 31 22:30:48 GMT 2025 , Edited by admin on Mon Mar 31 22:30:48 GMT 2025

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PUBCHEM

83453

Created by admin on Mon Mar 31 22:30:48 GMT 2025 , Edited by admin on Mon Mar 31 22:30:48 GMT 2025

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