Iso-Butanol 99% AR

CAT: 1507-55500500Size: 500 mLDry Ice: NoHazardous: No

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CAS Number

78-83-1

HSN Code

29051490

Chemical Information

Isobutanol

Isobutanol is an alkyl alcohol that is propan-1-ol substituted by a methyl group at position 2. It has a role as a Saccharomyces cerevisiae metabolite. It is a primary alcohol and an alkyl alcohol. It derives from a hydride of an isobutane.

CAS Number	78-83-1
PubChem CID	6560
IUPAC Name	2-methylpropan-1-ol
Molecular Formula	C4H10O
Molecular Weight	74.12
XLogP	0.8
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	5
Formal Charge	0
Complexity	17

SMILES

CC(C)CO

InChI

InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3

InChIKey

ZXEKIIBDNHEJCQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 78-83-1

CID: 6560

Formula: C4H10O

MW: 74.12

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	74.12
XLogP3	0.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	74.073164938
Monoisotopic Mass	74.073164938
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	5
Formal Charge	0
Complexity	17.6
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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RH1050-2.5L	Iso-Butanol HPLC
00555 00500	Iso-Butanol 99% AR
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Iso-Butanol 99% AR

Chemical Information

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