CAS No.103-20-8,7-ETHYL-2-METHYL-4-UNDECANOL Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	103-20-8
Name:	7-ETHYL-2-METHYL-4-UNDECANOL
Article Data:	8

Formula:	C₁₄H₃₀O
Molecular Weight:	214.392
Synonyms:	7-Ethyl-2-methyl-4-undecanol;NSC 60591;
EINECS:	203-088-0
Density:	0.83 g/cm³
Boiling Point:	264.2 °C at 760 mmHg
Flash Point:	114.9 °C
Hazard Symbols:	Xi
Risk Codes:	R36/37/38
PSA:	20.23000
LogP:	4.39000

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Specification

The 4-Undecanol,7-ethyl-2-methyl- is an organic compound with the formula C₁₄H₃₀O. The IUPAC name of this chemical is 7-ethyl-2-methylundecan-4-ol. With the CAS registry number 103-20-8, it is also named as 7-Ethyl-2-methyl-4-hendecanol.

Physical properties about 4-Undecanol,7-ethyl-2-methyl- are: (1)ACD/LogP: 5.64; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.64; (4)ACD/LogD (pH 7.4): 5.64; (5)ACD/BCF (pH 5.5): 11323.94; (6)ACD/BCF (pH 7.4): 11323.94; (7)ACD/KOC (pH 5.5): 27761.34; (8)ACD/KOC (pH 7.4): 27761.34; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 9.23 Å²; (13)Index of Refraction: 1.441; (14)Molar Refractivity: 68.31 cm³; (15)Molar Volume: 258.2 cm³; (16)Polarizability: 27.08×10^-24cm³; (17)Surface Tension: 28.7 dyne/cm; (18)Density: 0.83 g/cm³; (19)Flash Point: 114.9 °C; (20)Enthalpy of Vaporization: 58.31 kJ/mol; (21)Boiling Point: 264.2 °C at 760 mmHg; (22)Vapour Pressure: 0.00137 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: OC(CCC(CCCC)CC)CC(C)C
(2)InChI: InChI=1/C14H30O/c1-5-7-8-13(6-2)9-10-14(15)11-12(3)4/h12-15H,5-11H2,1-4H3
(3)InChIKey: JKKBSZCOVNFRCQ-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C14H30O/c1-5-7-8-13(6-2)9-10-14(15)11-12(3)4/h12-15H,5-11H2,1-4H3
(5)Std. InChIKey: JKKBSZCOVNFRCQ-UHFFFAOYSA-N