Benzyloxyacetone - CAS 22539-93-1
Catalog: |
BB017662 |
Product Name: |
Benzyloxyacetone |
CAS: |
22539-93-1 |
Synonyms: |
1-phenylmethoxypropan-2-one |
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 ℃ (lit.) |
Purity: | 95 % |
Density: | 1.04 g/mL at 25 ℃ (lit.) |
Appearance: | Colorless to yellow to yellow-green liquid |
MDL: | MFCD01863536 |
LogP: | 1.79220 |
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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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 |
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