2-Phenyl-1-propanol - CAS 1123-85-9
Catalog: |
BB002955 |
Product Name: |
2-Phenyl-1-propanol |
CAS: |
1123-85-9 |
Synonyms: |
Benzeneethanol, β-methyl-; Phenethyl alcohol, β-methyl-; β-Methylbenzeneethanol; (RS)-2-Phenyl-1-propanol; (±)-2-Phenyl-1-propanol; (±)-2-Phenylpropanol; (±)-β-Methylbenzeneethanol; 1-Hydroxy-2-phenylpropane; 1-Propanol, 2-phenyl-; 2-Phenylpropanol; 2-Phenylpropyl alcohol; Hydratropic alcohol; Hydratropyl alcohol; NSC 5232; β-Methylphenethyl alcohol; β-Phenylpropyl alcohol |
Related CAS: | 98103-87-8 (Deleted CAS)
|
IUPAC Name: | 2-phenylpropan-1-ol |
Molecular Weight: | 136.19 |
Molecular Formula: | C9H12O |
Canonical SMILES: | CC(CO)C1=CC=CC=C1 |
InChI: | InChI=1S/C9H12O/c1-8(7-10)9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3 |
InChI Key: | RNDNSYIPLPAXAZ-UHFFFAOYSA-N |
Boiling Point: | 112-114°C |
Melting Point: | 125-127°C |
Flash Point: | 108°C |
Purity: | ≥95% |
Density: | 1.0070 g/cm3 |
Solubility: | Soluble in Water |
Appearance: | Colorless to Almost Colorless Clear Liquid |
Storage: | Store at RT |
MDL: | MFCD00004736 |
LogP: | 1.78240 |
Refractive Index: | 1.5252-1.5272 |
Stability: | Stable under normal temperatures and pressures. |
Publication Number | Title | Priority Date |
CN-113117653-A | Preparation and application of carboxylic acid modified cyclodextrin chiral chromatographic stationary phase material | 20210419 |
CN-113072549-A | Method for synthesizing tetrahydroberberine and derivatives thereof | 20210326 |
CN-112250534-A | Method for reducing unit consumption of cumene in process of producing epoxypropane by cumene co-oxidation method | 20200909 |
EP-3900696-A1 | Encapsulated fragrance composition | 20200421 |
EP-3900697-A1 | Fragrance composition | 20200421 |
PMID | Publication Date | Title | Journal |
22033095 | 20120901 | Fragrance material review on β-methylphenethyl alcohol | Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association |
22305539 | 20120401 | Synergism between microwave irradiation and enzyme catalysis in transesterification of ethyl-3-phenylpropanoate with n-butanol | Bioresource technology |
22055107 | 20120101 | Characterization and further stabilization of a new anti-prelog specific alcohol dehydrogenase from Thermus thermophilus HB27 for asymmetric reduction of carbonyl compounds | Bioresource technology |
22099947 | 20111120 | Optimization of culture conditions to produce high yields of active Acetobacter sp. CCTCC M209061 cells for anti-Prelog reduction of prochiral ketones | BMC biotechnology |
18315049 | 20080227 | Computational investigation of the Jahn-Teller effect in the ground and excited electronic states of the tropyl radical. Part I. Theoretical calculation of spectroscopically observable parameters | The Journal of chemical physics |
Complexity: | 84.7 |
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: | 2 |
Topological Polar Surface Area: | 20.2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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