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Name |
1-(2,5-Dimethoxyphenyl)propan-2-ol |
EINECS | N/A |
CAS No. | 40180-96-9 | Density | 1.062 g/cm3 |
PSA | N/A | LogP | N/A |
Solubility | N/A | Melting Point |
N/A |
Formula | C11H16O3 | Boiling Point | 304.9 °C at 760mmHg |
Molecular Weight | 196.246 | Flash Point | 138.2 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Phenethyl alcohol, 2,5-dimethoxy-alpha-methyl- |
Article Data | 9 |
The IUPAC name of this chemical is 1-(2,5-Dimethoxyphenyl)propan-2-ol. With the CAS registry number of 40180-96-9, it is also called Phenethyl alcohol, 2,5-dimethoxy-α-methyl-. In addition, the formula is C11H16O3 and the molecular weight is 196.2429.
Physical properties about 1-(2,5-Dimethoxyphenyl)propan-2-ol are: (1)ACD/LogP: 1.59; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 27.69 Å2; (7)Index of Refraction: 1.51; (8)Molar Refractivity: 55.28 cm3; (9)Molar Volume: 184.6 cm3; (10)Polarizability: 21.91×10-24 cm3; (11)Surface Tension: 35.6 dyne/cm; (12)Density: 1.062 g/cm3; (13)Flash Point: 138.2 °C; (14)Enthalpy of Vaporization: 57.58 kJ/mol; (15)Boiling Point: 304.9 °C at 760 mmHg; (16)Vapour Pressure: 0.000373 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES:O(c1ccc(OC)cc1CC(O)C)C
(2)InChI:InChI=1/C11H16O3/c1-8(12)6-9-7-10(13-2)4-5-11(9)14-3/h4-5,7-8,12H,6H2,1-3H3
(3)InChIKey:RPYWIZDAMGNPJB-UHFFFAOYAP
(4)Std. InChI:InChI=1S/C11H16O3/c1-8(12)6-9-7-10(13-2)4-5-11(9)14-3/h4-5,7-8,12H,6H2,1-3H3
(5)Std. InChIKey:RPYWIZDAMGNPJB-UHFFFAOYSA-N