DIHYDROMYRCENYL ACETATE

The 7-Octen-2-ol,2,6-dimethyl-, 2-acetate, with the CAS registry number 53767-93-4, is also known as 1,1,5-Trimethylhept-6-en-1-yl acetate and 2,6-Dimethyloct-7-en-2-yl acetate. It belongs to the product category of Aroma Chemicals. Its EINECS registry number is 258-751-7. This chemical's molecular formula is C₁₂H₂₂O₂ and molecular weight is 198.3019. What's more, both its IUPAC name and systematic name are the same which is called 2,6-Dimethyloct-7-en-2-yl acetate.

Physical properties about 7-Octen-2-ol,2,6-dimethyl-, 2-acetate are: (1)ACD/LogP: 3.90; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.9; (4)ACD/LogD (pH 7.4): 3.9; (5)ACD/BCF (pH 5.5): 541.41; (6)ACD/BCF (pH 7.4): 541.41; (7)ACD/KOC (pH 5.5): 3149.62; (8)ACD/KOC (pH 7.4): 3149.62; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.436; (14)Molar Refractivity: 59.06 cm³; (15)Molar Volume: 225.6 cm³; (16)Surface Tension: 27.3 dyne/cm; (17)Density: 0.878 g/cm³; (18)Flash Point: 98.8 °C; (19)Enthalpy of Vaporization: 48.37 kJ/mol; (20)Boiling Point: 246.6 °C at 760 mmHg; (21)Vapour Pressure: 0.0269 mmHg at 25 °C.

When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system and skin. Therefore, you should wear suitable protective clothing. And in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OC(CCCC(\C=C)C)(C)C)C
(2) InChI: InChI=1/C12H22O2/c1-6-10(2)8-7-9-12(4,5)14-11(3)13/h6,10H,1,7-9H2,2-5H3
(3) InChIKey: BEARMGATPGLSKG-UHFFFAOYAS