Benzyloxyacetone - CAS 22539-93-1

Name: Benzyloxyacetone
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB017662
Product Name:	Benzyloxyacetone
CAS:	22539-93-1
Synonyms:	1-phenylmethoxypropan-2-one

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Computed Properties

IUPAC Name:	1-phenylmethoxypropan-2-one
Description:	Benzyloxyacetone (CAS# 22539-93-1) is a useful research chemical.
Molecular Weight:	164.20
Molecular Formula:	C10H12O2
Canonical SMILES:	CC(=O)COCC1=CC=CC=C1
InChI:	InChI=1S/C10H12O2/c1-9(11)7-12-8-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3
InChI Key:	YHMRKVGUSQWDGZ-UHFFFAOYSA-N
Boiling Point:	259 °C (lit.)
Purity:	95 %
Density:	1.04 g/mL at 25 °C (lit.)
Appearance:	Colorless to yellow to yellow-green liquid
MDL:	MFCD01863536
LogP:	1.79220

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]C15H22O5S.Na
Sulfophenyl nonanoate sodium salt
[89908-23-6]C23H22N2O5
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[51493-02-8]C5H10ClNO
N-Methyl-N-propylcarbamoyl Chloride
[70199-62-1]C8H10ClNO
(4-Pyridyl)acetone Hydrochloride
[55441-25-3]C8H7N3O
1-(2-Cyanophenyl)urea
[956439-56-8]C6H5N3O6
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

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WO-2021032033-A1	Pyridazinol compound, derivative thereof, preparation method therefor, herbicidal composition and use thereof	20190816
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PMID	Publication Date	Title	Journal
17377652	20070407	Direct asymmetric three-component organocatalytic anti-selective Mannich reactions in a purely aqueous system	Organic & biomolecular chemistry
12126442	20020726	Synthesis of 4-diphosphocytidyl-2-C-methyl-D-erythritol and 2-C-methyl-D-erythritol-4-phosphate	The Journal of organic chemistry
11527719	20010903	Synthesis and biological evaluation of L- and D-configurations of 2',3'-dideoxy-4'-C-methyl-3'-oxacytidine analogues	Bioorganic & medicinal chemistry letters

Complexity:	137
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	164.083729621
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	164.083729621
Rotatable Bond Count:	4
Topological Polar Surface Area:	26.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3