1-Hydroxy-2-butanone - CAS 5077-67-8

Catalog:	BB027211
Product Name:	1-Hydroxy-2-butanone
CAS:	5077-67-8
Synonyms:	2-Butanone, 1-hydroxy-; 2-Oxobutanol; Ethyl hydroxymethyl ketone; 2-Oxo-1-butanol

Technical Data

Safety and Hazards

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Literatures

Computed Properties

IUPAC Name:	1-hydroxybutan-2-one
Description:	1-Hydroxy-2-butanone is a natural product isolated from Bomboo Juice with antitubercular activity.
Molecular Weight:	88.11
Molecular Formula:	C4H8O2
Canonical SMILES:	CCC(=O)CO
InChI:	InChI=1S/C4H8O2/c1-2-4(6)3-5/h5H,2-3H2,1H3
InChI Key:	GFAZHVHNLUBROE-UHFFFAOYSA-N
Boiling Point:	160.05°C at 760 mmHg
Purity:	≥98%
Density:	1.0272 g/cm3
Appearance:	Colorless to light yellow clear liquid
MDL:	MFCD00010259
LogP:	-0.04220

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PMID	Publication Date	Title	Journal
21837109	20110701	Ethyl 2-[1,3-dioxo-6-(piperidin-1-yl)-2,3-dihydro-1H-benz[de]isoquinolin-2-yl]acetate	Acta crystallographica. Section E, Structure reports online
21290439	20110225	Broadening deoxysugar glycodiversity: natural and engineered transaldolases unlock a complementary substrate space	Chemistry (Weinheim an der Bergstrasse, Germany)
21588371	20100721	Ethyl 2-(2-oxo-4-phenyl-2,3-dihydro-1H-1,5-benzodiazepin-1-yl)acetate	Acta crystallographica. Section E, Structure reports online
18543990	20080704	Synthesis and evaluation of the cytotoxicity of apoptolidinones A and D	The Journal of organic chemistry
17985886	20071128	D-Fructose-6-phosphate aldolase-catalyzed one-pot synthesis of iminocyclitols	Journal of the American Chemical Society

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Related Functional Groups

Carbonyl Compounds

[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[91552-11-3]
2-(3-Chlorophenyl)cyclopropanecarboxylic Acid
[957292-12-5]
2-(3-Cyclopropyl-1H-pyrazol-1-yl)acetic acid

GHS Hazard Statement:	H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
Precautionary Statement:	P210, P233, P240, P241, P242, P243, P261, P264, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501
Signal Word:	Warning

Complexity:	49.5
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	88.052429494
Formal Charge:	0
Heavy Atom Count:	6
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	88.052429494
Rotatable Bond Count:	2
Topological Polar Surface Area:	37.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.2