Basic information
- Name:
Benzenemethanol,3,5-dimethoxy-a,a-dimethyl-
- Superlist Name:
- 2-(3,5-Dimethoxyphenyl)propan-2-ol
- CAS No.:
39507-96-5
- Molecular Structure:
- Formula:
- C11H16O3
- Molecular Weight:
- 196.24
- Synonyms:
- 3,5-Dimethoxy-a,a-dimethylbenzyl alcohol;
- EINECS:
- 254-476-1
- Density:
- 1.06 g/cm3
- Boiling Point:
- 307.1 °C at 760 mmHg
- Flash Point:
- 139.5 °C
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Specification
The IUPAC name of this chemical is 2-(3,5-Dimethoxyphenyl)propan-2-ol. With the CAS registry number 39507-96-5 and EINECS registry number 254-476-1, it is also named as benzenemethanol,3,5-dimethoxy-a,a-dimethyl-. In addition, the molecular formula is C11H16O3. It belongs to the class of Benzene Derivates. What's more, it should be stored in sealed container, and put in a cool and dry place.
Physical properties about 2-(3,5-Dimethoxyphenyl)propan-2-ol are: (1)ACD/LogP: 1.44; (2)ACD/LogD (pH 5.5): 1.44; (3)ACD/LogD (pH 7.4): 1.44; (4)ACD/BCF (pH 5.5): 7.35; (5)ACD/BCF (pH 7.4): 7.35; (6)ACD/KOC (pH 5.5): 145.12; (7)ACD/KOC (pH 7.4): 145.12; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 27.69 Å2; (12)Index of Refraction: 1.504; (13)Molar Refractivity: 54.89 cm3; (14)Molar Volume: 185.1 cm3; (15)Polarizability: 21.76 ×10-24cm3; (16)Surface Tension: 33.5 dyne/cm; (17)Density: 1.06 g/cm3; (18)Flash Point: 139.5 °C; (19)Enthalpy of Vaporization: 57.82 kJ/mol; (20)Boiling Point: 307.1 °C at 760 mmHg; (21)Vapour Pressure: 0.000323 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O(c1cc(cc(OC)c1)C(O)(C)C)C
(2)InChI: InChI=1/C11H16O3/c1-11(2,12)8-5-9(13-3)7-10(6-8)14-4/h5-7,12H,1-4H3
(3)InChIKey: HJWIHSLWFROGED-UHFFFAOYAC
