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22418-69-5

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Basic Information
CAS No.: 22418-69-5
Name: 2,3,7-trimethyloct-6-en-1-ol
Article Data: 6
Molecular Structure:
Molecular Structure of 22418-69-5 (2,3,7-trimethyloct-6-en-1-ol)
Formula: C11H22O
Molecular Weight: 170.295
Synonyms: 2,3,7-Trimethyloct-6-en-1-ol;
EINECS: 244-982-0
Density: 0.843 g/cm3
Boiling Point: 229.8 °C at 760 mmHg
Flash Point: 103.5 °C
PSA: 20.23000
LogP: 2.99730
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    Zibo Hangyu Biotechnology Development Co., Ltd is a leading manufacturer and supplier of chemicals in China. We develop produce and distribute high quality pharmaceuticals, intermediates, special chemicals and OLED intermediates and other fine chemi

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    6-Octen-1-ol,2,3,7-trimethyl-

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Specification

The 6-Octen-1-ol,2,3,7-trimethyl-, with the CAS registry number 22418-69-5, is also known as 1H-Benz[de]isoquinoline-5,8-disulfonic acid, 6-amino-2-[3-(ethenylsulfonyl)phenyl]-2,3-dihydro-1,3-dioxo-, lithium salt (1:2). Its EINECS number is 244-982-0. This chemical's molecular formula is C11H22O and molecular weight is 170.29. What's more, its systematic name is 2,3,7-trimethyloct-6-en-1-ol. 

Physical properties of 6-Octen-1-ol,2,3,7-trimethyl- are: (1)ACD/LogP: 3.73; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.73; (4)ACD/BCF (pH 5.5): 402.07; (5)ACD/KOC (pH 5.5): 2545.46; (6)#H bond acceptors: 1; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 6; (9)Polar Surface Area: 9.23 Å2; (10)Index of Refraction: 1.451; (11)Molar Refractivity: 54.36 cm3; (12)Molar Volume: 201.7 cm3; (13)Polarizability: 21.55×10-24cm3; (14)Surface Tension: 28.1 dyne/cm; (15)Density: 0.843 g/cm3; (16)Flash Point: 103.5 °C; (17)Enthalpy of Vaporization: 54.22 kJ/mol; (18)Boiling Point: 229.8 °C at 760 mmHg; (19)Vapour Pressure: 0.0131 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: OCC(C(CC/C=C(/C)C)C)C
(2)InChI: InChI=1S/C11H22O/c1-9(2)6-5-7-10(3)11(4)8-12/h6,10-12H,5,7-8H2,1-4H3
(3)InChIKey: FDEBVYXMAXZAIP-UHFFFAOYSA-N