3-METHYL-2-BUTANOL

Details

Stereochemistry	RACEMIC
Molecular Formula	C5H12O
Molecular Weight	88.1482
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(C)C(C)O

InChI

InChIKey=MXLMTQWGSQIYOW-UHFFFAOYSA-N

InChI=1S/C5H12O/c1-4(2)5(3)6/h4-6H,1-3H3

HIDE SMILES / InChI

Molecular Formula	C5H12O
Molecular Weight	88.1482
Charge	0
Count

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

Approval Year

PubMed

Title	Date	PubMed
Enantioseparation of chiral amino acids as the N(O,S)-ethoxycarbonylated diastereomeric esters by achiral dual-capillary column gas chromatography.	2001 Dec	11814190
Enantioselectivity in Candida antarctica lipase B: a molecular dynamics study.	2001 Feb	11266619
Rational design of enantioselective enzymes requires considerations of entropy.	2001 Sep	11514667
Size as a parameter for solvent effects on Candida antarctica lipase B enantioselectivity.	2002 Feb 11	11904228
Volatile metabolites produced by three strains of Stachybotrys chartarum cultivated on rice and gypsum board.	2002 Jun	12049433
Substrate entropy in enzyme enantioselectivity: an experimental and molecular modeling study of a lipase.	2002 Jun	12021445
Isotope effects on the unimolecular dissociation of ionized 3-methyl-2-butanol: reactions via a long-lived C-H-C hydrogen-bridged ion-neutral complex.	2005 Apr 14	16833644
Relative and absolute kinetic studies of 2-butanol and related alcohols with tropospheric Cl atoms.	2007 Mar 14	17325767
Spectroscopic identification of amyl alcohol hydrates through free OH observation.	2009 Aug 6	19603822
The in-situ solid-state NMR spectroscopy investigation of alcoholic lactose suspensions.	2010 May-Jun	20605422

Substance Class	Chemical Created by `admin` on `Fri Dec 15 18:11:03 GMT 2023` Edited by `admin` on `Fri Dec 15 18:11:03 GMT 2023`
Record UNII	93FF0F303R
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-METHYL-2-BUTANOL

Systematic Name

English

3-METHYL-2-BUTANOL [MI]

Common Name

English

(±)-2-METHYL-3-BUTANOL

Systematic Name

English

1,2-DIMETHYLPROPYL ALCOHOL

Systematic Name

English

1,2-DIMETHYLPROPANOL

Systematic Name

English

2-METHYL-3-BUTANOL

Systematic Name

English

1,2-DIMETHYL-1-PROPANOL

Systematic Name

English

NSC-71162

Code

English

(±)-3-METHYL-2-BUTANOL

Systematic Name

English

METHYLISOPROPYLCARBINOL

Systematic Name

English

3-METHYL-2-BUTANOL, (±)-

Systematic Name

English

3-METHYL-2-BUTANOL [FHFI]

Common Name

English

SEC-ISOAMYL ALCOHOL

Systematic Name

English

FEMA NO. 3703

Code

English

Classification Tree Code System Code

JECFA EVALUATION

3-METHYL-2-BUTANOL