7-Benzofuranmethanol,2,3-dihydro-2,2-dimethyl- supplier

Name
(2,2-DIMETHYL-2,3-DIHYDRO-1-BENZOFURAN-7-YL)METHANOL
EINECS
CAS No. 38002-89-0
Article Data2
CAS DataBase
Density 1.101 g/cm³
Solubility
Melting Point 59 °C
Formula C₁₁H₁₄O₂
Boiling Point 293.6 °C at 760 mmHg
Molecular Weight 178.231
Flash Point 127.8 °C
Transport Information
Appearance
Safety 24/25
Risk Codes 22
Molecular Structure
Hazard Symbols Xi,Xn
Synonyms (2,2-Dimethyl-2,3-dihydrobenzofuran-7-yl)methanol;
PSA 29.46000
LogP 1.89240

7-Benzofuranmethanol,2,3-dihydro-2,2-dimethyl- Specification

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

Product Name

(2,2-DIMETHYL-2,3-DIHYDRO-1-BENZOFURAN-7-YL)METHANOL

7-Benzofuranmethanol,2,3-dihydro-2,2-dimethyl- Specification

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