Bicyclo[4.1.0]heptane-2-methanol,3,7,7-trimethyl- supplier

Name
3,7,7-trimethylbicyclo[4.1.0]heptane-2-methanol
EINECS 282-699-4
CAS No. 84304-13-2
Density 0.923 g/cm³
Solubility
Melting Point
Formula C₁₁H₂₀O
Boiling Point 230.8 °C at 760 mmHg
Molecular Weight 168.2759
Flash Point 101.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3,7,7-Trimethylbicyclo[4.1.0]heptane-2-methanol;
PSA 20.23000
LogP 2.29700

Bicyclo[4.1.0]heptane-2-methanol,3,7,7-trimethyl- Specification

The Bicyclo[4.1.0]heptane-2-methanol,3,7,7-trimethyl-, with the CAS registry number 84304-13-2, is also known as (3,7,7-Trimethylnorcaran-2-yl)methanol. Its EINECS registry number is 282-699-4. This chemical's molecular formula is C₁₁H₂₀O and molecular weight is 168.2759. What's more, its IUPAC name is (4,7,7-Trimethyl-5-bicyclo[4.1.0]heptanyl)methanol.

Physical properties about Bicyclo[4.1.0]heptane-2-methanol,3,7,7-trimethyl- are: (1)ACD/LogP: 3.25; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.25; (4)ACD/LogD (pH 7.4): 3.25; (5)#H bond acceptors: 1; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 2; (8)Polar Surface Area: 20.23 Å²; (9)Index of Refraction: 1.467; (10)Molar Refractivity: 50.59 cm³; (11)Molar Volume: 182.1 cm³; (12)Polarizability: 20.05×10^-24cm³; (13)Surface Tension: 31.7 dyne/cm; (14)Density: 0.923 g/cm³; (15)Flash Point: 101.4 °C; (16)Enthalpy of Vaporization: 54.34 kJ/mol; (17)Boiling Point: 230.8 °C at 760 mmHg; (18)Vapour Pressure: 0.0123 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: CC2(C)C1CCC(C)C(CO)C12
(2) InChI: InChI=1/C11H20O/c1-7-4-5-9-10(8(7)6-12)11(9,2)3/h7-10,12H,4-6H2,1-3H3
(3) InChIKey: HRQKYZLPDOKAFK-UHFFFAOYAI

Product Name

3,7,7-trimethylbicyclo[4.1.0]heptane-2-methanol

Bicyclo[4.1.0]heptane-2-methanol,3,7,7-trimethyl- Specification

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