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58581-03-6

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Basic Information
CAS No.: 58581-03-6
Name: 6-methyl-3-(propan-2-yl)-7-oxabicyclo[4.1.0]heptan-3-ol
Molecular Structure:
Molecular Structure of 58581-03-6 (6-methyl-3-(propan-2-yl)-7-oxabicyclo[4.1.0]heptan-3-ol)
Formula: C10H18O2
Molecular Weight: 170.25
Synonyms: p-Menthan-4-ol,1,2-epoxy- (7CI);Terpinen-4-ol epoxide;
Density: 1.073 g/cm3
Boiling Point: 251.8 °C at 760 mmHg
Flash Point: 98.8 °C
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Specification

This chemical is called 7-Oxabicyclo(4.1.0)heptan-3-ol, 6-methyl-3-(1-methylethyl)-, and it can also be named as 6-Methyl-3-(propan-2-yl)-7-oxabicyclo[4.1.0]heptan-3-ol. With the molecular formula of C10H18O2, its molecular weight is 170.25. The CAS registry number of this chemical is 58581-03-6. Additionally, its classification code is TSCA Flag P [A commenced PMN (Premanufacture Notice) substance].

Other characteristics of the 7-Oxabicyclo(4.1.0)heptan-3-ol, 6-methyl-3-(1-methylethyl)- can be summarised as followings: (1)ACD/LogP: 1.30; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.29; (4)ACD/LogD (pH 7.4): 1.29; (5)ACD/BCF (pH 5.5): 5.68; (6)ACD/BCF (pH 7.4): 5.68; (7)ACD/KOC (pH 5.5): 120.62; (8)ACD/KOC (pH 7.4): 120.62; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 21.76 Å2; (13)Index of Refraction: 1.508; (14)Molar Refractivity: 47.29 cm3; (15)Molar Volume: 158.5 cm3; (16)Polarizability: 18.75×10-24cm3; (17)Surface Tension: 39.4 dyne/cm; (18)Density: 1.073 g/cm3; (19)Flash Point: 98.8 °C; (20)Enthalpy of Vaporization: 56.82 kJ/mol; (21)Boiling Point: 251.8 °C at 760 mmHg; (22)Vapour Pressure: 0.00315 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: OC1(CC2OC2(C)CC1)C(C)C
2.InChI: InChI=1/C10H18O2/c1-7(2)10(11)5-4-9(3)8(6-10)12-9/h7-8,11H,4-6H2,1-3H3
3.InChIKey: JLNJUKBAHGGNLB-UHFFFAOYAE