5077-67-8 | 1-Hydroxybutan-2-one

Packsize	Purity	Availability	Price	Discounted Price
250mg	96%	in stock	$38.00	$27.00
1g	96%	in stock	$46.00	$32.00
5g	96%	in stock	$197.00	$138.00
10g	96%	in stock	$384.00	$269.00
25g	96%	in stock	$704.00	$493.00
100g	96%	in stock	$2,344.00	$1,641.00

Description

• Catalog Number: AG21044
• Chemical Name: 1-Hydroxybutan-2-one
• CAS Number: 5077-67-8
• Molecular Formula: C4H8O2
• Molecular Weight: 88.10512
• MDL Number: MFCD00010259
• SMILES: CCC(=O)CO

Computed Properties

• Complexity: 49.5
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 6
• Hydrogen Bond Acceptor Count: 2
• Hydrogen Bond Donor Count: 1
• Rotatable Bond Count: 2
• XLogP3: -0.2

Literature

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• Ethyl 2-(2-oxo-4-phenyl-2,3-dihydro-1H-1,5-benzodiazepin-1-yl)acetate.

  Acta crystallographica. Section E, Structure reports online 20100801

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  The Journal of organic chemistry 20080704

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  Journal of the American Chemical Society 20071128

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  Gut 20071101

• Protonation thermochemistry of selected hydroxy- and methoxycarbonyl molecules.

  The journal of physical chemistry. A 20051229

• Characterization of the beta-carbon processing reactions of the mammalian cytosolic fatty acid synthase: role of the central core.

  Biochemistry 20040817

• Detection of carboxylic acids and inhibition of hippuric acid formation in rats treated with 3-butene-1,2-diol, a major metabolite of 1,3-butadiene.

  Drug metabolism and disposition: the biological fate of chemicals 20030801

• Stereoselective oxidation of aliphatic diols and reduction of hydroxy-ketones with galactitol dehydrogenase from Rhodobacter sphaeroides D.

  Communications in agricultural and applied biological sciences 20030101

• In vitro metabolism of chloroprene: species differences, epoxide stereochemistry and a de-chlorination pathway.

  Chemical research in toxicology 20011101

• Modification of fatty acids changes the flavor volatiles in tomato leaves.

  Phytochemistry 20010901