2-METHYL-1,4-BUTANEDIOL

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NCATS

Details

Stereochemistry	RACEMIC
Molecular Formula	C5H12O2
Molecular Weight	104.1476
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2-METHYL-1,4-BUTANEDIOL

Structure Search

SMILES

CC(CO)CCO

InChI

InChIKey=MWCBGWLCXSUTHK-UHFFFAOYSA-N

InChI=1S/C5H12O2/c1-5(4-7)2-3-6/h5-7H,2-4H2,1H3

HIDE SMILES / InChI

Molecular Formula	C5H12O2
Molecular Weight	104.1476
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 `Mon Mar 31 21:49:40 GMT 2025` Edited by `admin` on `Mon Mar 31 21:49:40 GMT 2025`
Record UNII	3QW64T6176
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2-METHYL-1,4-BUTANEDIOL

Systematic Name

English

NSC-91489

Preferred Name

English

1,4-BUTANEDIOL, 2-METHYL-

Systematic Name

English

AMYLENE GLYCOL

Common Name

English

2-METHYLBUTANE-1,4-DIOL

Systematic Name

English

Code System Code Type Description

NSC

91489

Created by admin on Mon Mar 31 21:49:40 GMT 2025 , Edited by admin on Mon Mar 31 21:49:40 GMT 2025

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PUBCHEM

18053

Created by admin on Mon Mar 31 21:49:40 GMT 2025 , Edited by admin on Mon Mar 31 21:49:40 GMT 2025

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CAS

2938-98-9

Created by admin on Mon Mar 31 21:49:40 GMT 2025 , Edited by admin on Mon Mar 31 21:49:40 GMT 2025

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ECHA (EC/EINECS)

220-925-5

Created by admin on Mon Mar 31 21:49:40 GMT 2025 , Edited by admin on Mon Mar 31 21:49:40 GMT 2025

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FDA UNII

3QW64T6176

Created by admin on Mon Mar 31 21:49:40 GMT 2025 , Edited by admin on Mon Mar 31 21:49:40 GMT 2025

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EPA CompTox

DTXSID201031185

Created by admin on Mon Mar 31 21:49:40 GMT 2025 , Edited by admin on Mon Mar 31 21:49:40 GMT 2025

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