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5-Octen-2-ol,2-methyl-, (E)- (9CI)

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Name

5-Octen-2-ol,2-methyl-, (E)- (9CI)

EINECS 259-907-7
CAS No. 55928-73-9 Density 0.845g/cm3
PSA 20.23000 LogP 2.50370
Solubility N/A Melting Point N/A
Formula C9H18O Boiling Point 204.2 °C at 760 mmHg
Molecular Weight 142.241 Flash Point 76.2 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 55928-73-9 ((E)-2-methyloct-5-en-2-ol) Hazard Symbols N/A
Synonyms

trans-2-Methyl-5-octen-2-ol;

 

5-Octen-2-ol,2-methyl-, (E)- (9CI) Specification

The 5-Octen-2-ol,2-methyl-, (E)- (9CI), with CAS registry number 55928-73-9, has the systematic name of (5E)-2-methyloct-5-en-2-ol. Besides this, it is also called (E)-2-methyloct-5-en-2-ol. And the chemical formula of this chemical is C9H18O. What's more, its EINECS is 259-907-7.

Physical properties of 5-Octen-2-ol,2-methyl-, (E)- (9CI): (1)ACD/LogP: 2.77; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.77; (4)ACD/LogD (pH 7.4): 2.77; (5)ACD/BCF (pH 5.5): 74.88; (6)ACD/BCF (pH 7.4): 74.88; (7)ACD/KOC (pH 5.5): 764.31; (8)ACD/KOC (pH 7.4): 764.31; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.45; (14)Molar Refractivity: 45.3 cm3; (15)Molar Volume: 168.2 cm3; (16)Polarizability: 17.95×10-24cm3; (17)Surface Tension: 28.6 dyne/cm; (18)Density: 0.845 g/cm3; (19)Flash Point: 76.2 °C; (20)Enthalpy of Vaporization: 51.23 kJ/mol; (21)Boiling Point: 204.2 °C at 760 mmHg; (22)Vapour Pressure: 0.0643 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: OC(C)(CC/C=C/CC)C
(2)InChI: InChI=1/C9H18O/c1-4-5-6-7-8-9(2,3)10/h5-6,10H,4,7-8H2,1-3H3/b6-5+
(3)InChIKey: LGAOBFAFWKTUEZ-AATRIKPKBF
(4)Std. InChI: InChI=1S/C9H18O/c1-4-5-6-7-8-9(2,3)10/h5-6,10H,4,7-8H2,1-3H3/b6-5+
(5)Std. InChIKey: LGAOBFAFWKTUEZ-AATRIKPKSA-N

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