2-Phenyl-2-propanol - CAS 617-94-7
Catalog: |
BB031259 |
Product Name: |
2-Phenyl-2-propanol |
CAS: |
617-94-7 |
Synonyms: |
2-phenylpropan-2-ol |
IUPAC Name: | 2-phenylpropan-2-ol |
Description: | 2-Phenyl-2-propanol (CAS# 617-94-7) is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff. |
Molecular Weight: | 136.19 |
Molecular Formula: | C9H12O |
Canonical SMILES: | CC(C)(C1=CC=CC=C1)O |
InChI: | InChI=1S/C9H12O/c1-9(2,10)8-6-4-3-5-7-8/h3-7,10H,1-2H3 |
InChI Key: | BDCFWIDZNLCTMF-UHFFFAOYSA-N |
Boiling Point: | 202 °C |
Melting Point: | 32-34°C |
Flash Point: | 87°C |
Density: | 0.973 g/cm3 |
Solubility: | water, 6113 mg/L @ 25 °C (est) |
Appearance: | Clear slightly yellow solid or liquid |
Storage: | Store at 0-5°C |
MDL: | MFCD00004456 |
LogP: | 1.91400 |
Refractive Index: | n20/D 1.5196(lit.) |
Vapor Pressure: | 0.52 mm Hg at 37.8 °C |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P280, P301+P312, P302+P352, P305+P351+P338, P321, P330, P332+P313, P337+P313, P362, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113461641-A | Method for preparing cyclohexene oxide from cyclohexene | 20210813 |
CN-113467201-A | Method for cleaning photoresist | 20210802 |
CN-113372299-A | Method for continuously producing propylene oxide by using two-step method of propane | 20210630 |
CN-113321630-A | Method for continuously producing epoxy chloropropane | 20210518 |
CN-113325622-A | Polymer liquid crystal film with customized colorful patterns and preparation method thereof | 20210514 |
PMID | Publication Date | Title | Journal |
27633901 | 20161201 | Screening of endocrine activity of compounds migrating from plastic baby bottles using a multi-receptor panel of in vitro bioassays | Toxicology in vitro : an international journal published in association with BIBRA |
22957655 | 20121005 | Hydrogen abstraction from cyclic amines by the cumyloxyl and benzyloxyl radicals. The role of stereoelectronic effects and of substrate/radical hydrogen bonding | The Journal of organic chemistry |
22033099 | 20120901 | Fragrance material review on 2-phenyl-2-propanol | Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association |
22263528 | 20120203 | Kinetic solvent effects on hydrogen abstraction from phenol by the cumyloxyl radical. Toward an understanding of the role of protic solvents | The Journal of organic chemistry |
22026478 | 20111118 | Understanding kinetic solvent effects on hydrogen abstraction reactions from carbon by the cumyloxyl radical | Organic letters |
Complexity: | 101 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 136.088815002 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 136.088815002 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 20.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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