3-Phenyloxetan-3-ol supplier

Name
3-Phenyloxetan-3-ol
EINECS
CAS No. 699-73-0
Article Data5
CAS DataBase
Density 1.235 g/cm³
Solubility
Melting Point 55-56℃
Formula C₉H₁₀O₂
Boiling Point 296.953 °C at 760 mmHg
Molecular Weight 150.177
Flash Point 143.204 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms TC-069874;
PSA 29.46000
LogP 0.90440

3-Phenyloxetan-3-ol Specification

The 3-Phenyloxetan-3-ol with CAS registry number of 699-73-0 is also known as TC-069874. The IUPAC name and product name are the same. In addition, the formula is C₉H₁₀O₂ and the molecular weight is 150.17.

Physical properties about 3-Phenyloxetan-3-ol are: (1)ACD/LogP: 0.11; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.107; (4)ACD/LogD (pH 7.4): 0.107; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 27.232; (8)ACD/KOC (pH 7.4): 27.232; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 29.46Å²; (13)Index of Refraction: 1.596; (14)Molar Refractivity: 41.38 cm³; (15)Molar Volume: 121.623 cm³; (16)Polarizability: 16.404×10^-24cm³; (17)Surface Tension: 53.699 dyne/cm; (18)Density: 1.235 g/cm³; (19)Flash Point: 143.204 °C; (20)Enthalpy of Vaporization: 56.684 kJ/mol; (21)Boiling Point: 296.953 °C at 760 mmHg; (22)Vapour Pressure: 0.001 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
1. SMILES: c1ccc(cc1)C2(COC2)O
2. InChI: InChI=1/C9H10O2/c10-9(6-11-7-9)8-4-2-1-3-5-8/h1-5,10H,6-7H2
3. InChIKey: BHAIDFCOUGGIRI-UHFFFAOYAC
4. Std. InChI: InChI=1S/C9H10O2/c10-9(6-11-7-9)8-4-2-1-3-5-8/h1-5,10H,6-7H2
5. Std. InChIKey: BHAIDFCOUGGIRI-UHFFFAOYSA-N

Product Name

3-Phenyloxetan-3-ol

3-Phenyloxetan-3-ol Specification

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