CAS No.72936-74-4,alpha-Pinene oxide Suppliers

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Basic Information

Molecular Structure:
CAS No.:	72936-74-4
Name:	alpha-Pinene oxide

Formula:	C₁₀H₁₆O
Molecular Weight:	152.23
Synonyms:	Epoxypinene;2,7,7-trimethyl-3-oxatricyclo[4.1.1.0^2,4]octane;
EINECS:	216-869-6
Density:	1.027 g/cm³
Boiling Point:	188.6 °C at 760 mmHg
Flash Point:	65.6 °C
Hazard Symbols:	Xi
Risk Codes:	41-37/38-10
Safety:	37/39-26-16
PSA:	12.53000
LogP:	2.20990

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Specification

The Bicyclo[3.1.1]heptane,2,6,6-trimethyl-, monoepoxy deriv. (9CI), with the CAS registry number 72936-74-4, is also known as 2,7,7-Trimethyl-3-oxatricyclo[4.1.1.0^2,4]octan. Its EINECS number is 243-411-2. This chemical's molecular formula is C₁₀H₁₆O and molecular weight is 152.23. What's more, its systematic name is 2,7,7-trimethyl-3-oxatricyclo[4.1.1.0^2,4]octane.

Physical properties of Bicyclo[3.1.1]heptane,2,6,6-trimethyl-, monoepoxy deriv. (9CI) are: (1)ACD/LogP: 2.11; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.11; (4)ACD/LogD (pH 7.4): 2.11; (5)ACD/BCF (pH 5.5): 23.67; (6)ACD/BCF (pH 7.4): 23.67; (7)ACD/KOC (pH 5.5): 335.19; (8)ACD/KOC (pH 7.4): 335.19; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 12.53 Å²; (13)Index of Refraction: 1.504; (14)Molar Refractivity: 43.92 cm³; (15)Molar Volume: 148.1 cm³; (16)Polarizability: 17.41×10^-24 cm³; (17)Surface Tension: 37.9 dyne/cm; (18)Density: 1.027 g/cm³; (19)Flash Point: 65.6 °C; (20)Enthalpy of Vaporization: 40.75 kJ/mol; (21)Boiling Point: 188.6 °C at 760 mmHg; (22)Vapour Pressure: 0.819 mmHg at 25°C.

Uses of Bicyclo[3.1.1]heptane,2,6,6-trimethyl-, monoepoxy deriv. (9CI): it can be used to produce trans-sobrerol at the ambient temperature. It will need solvent H₂O with the reaction time of 5 min. This reaction will also need catalyst RuCl₃. The yield is about 94%.

Bicyclo[3_1_1]heptane,2,6,6-trimethyl-, monoepoxy deriv_ (9CI) can be used to produce trans-sobrerol.

When you are using this chemical, please be cautious about it as the following:
It is flammable and irritating to respiratory system and skin. There is risk of serious damage to eyes. You should keep away from sources of ignition - No smoking. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you should wear suitable gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: O1C2(C)C3CC(CC12)C3(C)C
(2)InChI: InChI=1/C10H16O/c1-9(2)6-4-7(9)10(3)8(5-6)11-10/h6-8H,4-5H2,1-3H3
(3)InChIKey: NQFUSWIGRKFAHK-UHFFFAOYAS