3-Methyl-1-butanol

CAT: 0862-GK8188-100mlSize: 100 mLDry Ice: NoHazardous: Yes

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CAT#:0862-GK8188-100mlSize:100 mL

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CAS Number

123-51-3

EC Number

204-633-5

UN Code

1105

MDL Number

MFCD00002934

HS Code

2905190098

Purity

99.00%

Molecular Formula

C5H12O

Molecular Weight

88.15

Storage Conditions

+20°C

Hazardous Class

True

Chemical Information

Isoamyl Alcohol

Isoamylol is an primary alcohol that is butan-1-ol in which a hydrogen at position 3 has been replaced by a methyl group. It has a role as an antifungal agent, a Saccharomyces cerevisiae metabolite and a xenobiotic metabolite. It is a volatile organic compound, a primary alcohol and an alkyl alcohol. It derives from a hydride of an isopentane.

CAS Number	123-51-3
PubChem CID	31260
IUPAC Name	3-methylbutan-1-ol
Molecular Formula	C5H12O
Molecular Weight	88.15
XLogP	1.2
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Heavy Atom Count	6
Formal Charge	0
Complexity	25

SMILES

CC(C)CCO

InChI

InChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3

InChIKey

PHTQWCKDNZKARW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 123-51-3

CID: 31260

Formula: C5H12O

MW: 88.15

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	88.15
XLogP3	1.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	88.088815002
Monoisotopic Mass	88.088815002
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	6
Formal Charge	0
Complexity	25.1
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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GL5578-1kg	3-Methyl-2-buten-1-ol
GK2306-25g	Methyl 3,3-dimethoxypropionate
GK2306-10g	Methyl 3,3-dimethoxypropionate
GK2306-50g	Methyl 3,3-dimethoxypropionate
GK3530-25g	4-Hydroxymethyl-4-methyl-1-phenyl-3-pyrazolidone
GK4856-5g	(R) - (-) -Methyl 3-hydroxybutyrate

Alternative Products

Catalog	Name
283669-01	3-Methyl-1-butanol
TRC-M257583-250MG	3-Mercapto-3-methyl-1-butanol
426371-01	3-Methyl-3- (methylamino) -1-butanol
GCA53966-01	3-Methoxy-3-methyl-1-butanol
abx186273	3-Methyl-2-Butanol
sc-223402	2-Amino-3-methyl-1-butanol
TRC-B685705-1G	1-Bromo-3-methyl-2-butanol
282999-01	2-Methyl-1-butanol

3-Methyl-1-butanol

Chemical Information

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