CAS No.3269-90-7,4-methyl-beta-methylenecyclohex-3-ene-1-ethanol Suppliers

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Basic Information

Molecular Structure:
CAS No.:	3269-90-7
Name:	4-methyl-beta-methylenecyclohex-3-ene-1-ethanol

Formula:	C₁₀H₁₆O
Molecular Weight:	152.236
Synonyms:	1,8-p-Menthadien-10-ol;1,8(10)-Menthadien-9-ol;p-Mentha-1,8(10)-dien-9-ol(7CI,8CI);p-Mentha-1,8-dien-10-ol;1,8-p-Menthadien-9-ol;
EINECS:	221-889-3
Density:	0.946 g/cm³
Boiling Point:	239.5 °C at 760 mmHg
Flash Point:	98.5 °C
PSA:	20.23000
LogP:	2.28130

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Specification

The 3-Cyclohexene-1-ethanol, 4-methyl-b-methylene-, with the CAS registry number 3269-90-7, is also known as 4-Methyl-beta-methylenecyclohex-3-ene-1-ethanol. Its EINECS registry number is 221-889-3. This chemical's molecular formula is C₁₀H₁₆O and molecular weight is 152.23344. What's more, its IUPAC name is 2-(4-Methylcyclohex-3-en-1-yl)prop-2-en-1-ol.

Physical properties about 3-Cyclohexene-1-ethanol, 4-methyl-b-methylene- are: (1)ACD/LogP: 2.82; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.82; (4)ACD/LogD (pH 7.4): 2.82; (5)ACD/BCF (pH 5.5): 81.41; (6)ACD/BCF (pH 7.4): 81.41; (7)ACD/KOC (pH 5.5): 811.45; (8)ACD/KOC (pH 7.4): 811.45; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 9.23 Å²; (13)Index of Refraction: 1.495; (14)Molar Refractivity: 46.88 cm³; (15)Molar Volume: 160.7 cm³; (16)Polarizability: 18.58×10^-24 cm³; (17)Surface Tension: 32.9 dyne/cm; (18)Density: 0.946 g/cm³; (19)Flash Point: 98.5 °C; (20)Enthalpy of Vaporization: 55.37 kJ/mol; (21)Boiling Point: 239.5 °C at 760 mmHg; (22)Vapour Pressure: 0.00701 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: OCC(=C)/C1C/C=C(/C)CC1
(2) InChI: InChI=1/C10H16O/c1-8-3-5-10(6-4-8)9(2)7-11/h3,10-11H,2,4-7H2,1H3
(3) InChIKey: UIMAEYMKYMNCGW-UHFFFAOYAA