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82461-14-1

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Basic Information
CAS No.: 82461-14-1
Name: RHUBAFURAN
Article Data: 1
Molecular Structure:
Molecular Structure of 82461-14-1 (RHUBAFURAN)
Formula: C12H16O
Molecular Weight: 176.258
Synonyms: 2,4-Dimethyl-4-phenyltetrahydrofuran;Rhubafuran;
EINECS: 279-967-8
Density: 0.966 g/cm3
Boiling Point: 248.7 °C at 760 mmHg
Flash Point: 99.9 °C
Solubility: 650mg/L at 20℃
Appearance: colourless to pale yellow liquid
PSA: 9.23000
LogP: 2.75310
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Specification

The CAS registry number of Furan,tetrahydro-2,4-dimethyl-4-phenyl- is 82461-14-1. Its EINECS registry number is 279-967-8. The IUPAC name is 2,4-dimethyl-4-phenyloxolane. In addition, the molecular formula is C12H16O and the molecular weight is 176.25. What's more, it should be stored in a cool and dry place.

Physical properties about Furan,tetrahydro-2,4-dimethyl-4-phenyl- are: (1)ACD/LogP: 2.96; (2)ACD/LogD (pH 5.5): 2.96; (3)ACD/LogD (pH 7.4): 2.96; (4)ACD/BCF (pH 5.5): 104.22; (5)ACD/BCF (pH 7.4): 104.22; (6)ACD/KOC (pH 5.5): 968.4; (7)ACD/KOC (pH 7.4): 968.4; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 9.23 Å2; (11)Index of Refraction: 1.502; (12)Molar Refractivity: 53.81 cm3; (13)Molar Volume: 182.3 cm3; (14)Polarizability: 21.33 ×10-24cm3; (15)Surface Tension: 34.2 dyne/cm; (16)Density: 0.966 g/cm3; (17)Flash Point: 99.9 °C; (18)Enthalpy of Vaporization: 46.62 kJ/mol; (19)Boiling Point: 248.7 °C at 760 mmHg; (20)Vapour Pressure: 0.0378 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O2C(CC(c1ccccc1)(C)C2)C
(2)InChI: InChI=1/C12H16O/c1-10-8-12(2,9-13-10)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3
(3)InChIKey: GPMLJOOQCIHFET-UHFFFAOYAR