1-Phenyl-1,2-ethanediol - CAS 93-56-1
Catalog: |
BB040969 |
Product Name: |
1-Phenyl-1,2-ethanediol |
CAS: |
93-56-1 |
Synonyms: |
1,2-Ethanediol, 1-phenyl-; 1,2-Ethanediol, phenyl-; (1,2-Dihydroxyethyl)benzene; (RS)-1-Phenyl-1,2-ethanediol; (±)-1-Phenyl-1,2-ethanediol; (±)-Phenyl glycol; (±)-Phenyl-1,2-ethanediol; (±)-Styrene glycol; 1,2-Dihydroxy-1-phenylethane; 1,2-Dihydroxy-2-phenylethane; 1-Phenyl-1,2-glycol; 1-Phenylethylene glycol; cis-1-Phenyl-1,2-ethanediol; NSC 406601; Phenyl glycol; Phenylethylene glycol; Styrene glycol; Styrolyl alcohol; α,β-Dihydroxyethylbenzene; β-Hydroxy-β-phenylethanol |
Related CAS: | 7138-28-5 (Deleted CAS) 170678-55-4 (Deleted CAS)
|
IUPAC Name: | 1-phenylethane-1,2-diol |
Description: | 1-Phenyl-1,2-ethanediol (CAS# 93-56-1) is a useful research chemical compound. |
Molecular Weight: | 138.16 |
Molecular Formula: | C8H10O2 |
Canonical SMILES: | C1=CC=C(C=C1)C(CO)O |
InChI: | InChI=1S/C8H10O2/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8-10H,6H2 |
InChI Key: | PWMWNFMRSKOCEY-UHFFFAOYSA-N |
Boiling Point: | 273°C |
Melting Point: | 67.5°C |
Purity: | ≥95% |
Density: | 1.225 g/cm3 |
Solubility: | Soluble in Chloroform (Slightly), Ethanol, Methanol (Slightly) |
Appearance: | White to light beige crystalline powder or flakes |
Storage: | Store at 2-8°C |
MDL: | MFCD00003546 |
LogP: | 0.71230 |
GHS Hazard Statement: | H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P301+P312, P304+P312, P304+P340, P312, P330, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
24320693 | 20140121 | Metabolism of styrene to styrene oxide and vinylphenols in cytochrome P450 2F2- and P450 2E1-knockout mouse liver and lung microsomes | Chemical research in toxicology |
22100235 | 20120701 | Efficient asymmetric hydrolysis of styrene oxide catalyzed by Mung bean epoxide hydrolases in ionic liquid-based biphasic systems | Bioresource technology |
22231860 | 20120701 | Hot or not? Discovery and characterization of a thermostable alditol oxidase from Acidothermus cellulolyticus 11B | Applied microbiology and biotechnology |
22519717 | 20120504 | Specificity of the ester bond forming condensation enzyme SgcC5 in C-1027 biosynthesis | Organic letters |
22386858 | 20120411 | Modification of the metabolism and toxicity of styrene and styrene oxide in hepatic cytochrome P450 reductase deficient mice and CYP2F2 deficient mice | Toxicology |
Complexity: | 87.3 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 138.068079557 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 138.068079557 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 40.5 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.4 |
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