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CAS No.: | 38002-89-0 |
---|---|
Name: | (2,2-DIMETHYL-2,3-DIHYDRO-1-BENZOFURAN-7-YL)METHANOL |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C11H14O2 |
Molecular Weight: | 178.231 |
Synonyms: | (2,2-Dimethyl-2,3-dihydrobenzofuran-7-yl)methanol; |
Density: | 1.101 g/cm3 |
Melting Point: | 59 °C |
Boiling Point: | 293.6 °C at 760 mmHg |
Flash Point: | 127.8 °C |
Hazard Symbols: | Xi,Xn |
Risk Codes: | 22 |
Safety: | 24/25 |
PSA: | 29.46000 |
LogP: | 1.89240 |
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The 7-Benzofuranmethanol,2,3-dihydro-2,2-dimethyl-, with CAS registry number 38002-89-0, belongs to the following product categories: Furan & Benzofuran. It has the systematic name of (2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl)methanol. This chemical is a kind of white to light yellow crystal powder. When use this chemical, avoid contact with skin and eyes.
Physical properties of 7-Benzofuranmethanol,2,3-dihydro-2,2-dimethyl-: (1)ACD/LogP: 1.99; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.99; (4)ACD/LogD (pH 7.4): 1.99; (5)ACD/BCF (pH 5.5): 19.13; (6)ACD/BCF (pH 7.4): 19.13; (7)ACD/KOC (pH 5.5): 287.83; (8)ACD/KOC (pH 7.4): 287.83; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 18.46 Å2; (13)Index of Refraction: 1.545; (14)Molar Refractivity: 51.19 cm3; (15)Molar Volume: 161.7 cm3; (16)Polarizability: 20.29×10-24cm3; (17)Surface Tension: 43.1 dyne/cm; (18)Density: 1.101 g/cm3; (19)Flash Point: 127.8 °C; (20)Enthalpy of Vaporization: 56.31 kJ/mol; (21)Boiling Point: 293.6 °C at 760 mmHg; (22)Vapour Pressure: 0.000778 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: OCc2cccc1c2OC(C1)(C)C
(2)InChI: InChI=1/C11H14O2/c1-11(2)6-8-4-3-5-9(7-12)10(8)13-11/h3-5,12H,6-7H2,1-2H3
(3)InChIKey: LKFXMRFTJVYQMT-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C11H14O2/c1-11(2)6-8-4-3-5-9(7-12)10(8)13-11/h3-5,12H,6-7H2,1-2H3
(5)Std. InChIKey: LKFXMRFTJVYQMT-UHFFFAOYSA-N