1-Decanol,2-butyl- supplier | CasNO.21078-81-9

Name
2-BUTYL-1-DECANOL
EINECS
CAS No. 21078-81-9
Article Data3
CAS DataBase
Density 0.833g/cm³
Solubility
Melting Point
Formula C₁₄H₃₀O
Boiling Point 275.713 °C at 760 mmHg
Molecular Weight 214.392
Flash Point 110.41 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Butyl-1-decanol;2-Butyldecanol;2-Butyldecyl alcohol;
PSA 20.23000
LogP 4.53570

1-Decanol,2-butyl- Specification

The 1-Decanol,2-butyl-, with CAS registry number 21078-81-9, has the systematic name of 2-butyldecan-1-ol. Besides this, it is also called 2-Butyl-1-decanol. Its molecular weight is 214.39. And the chemical formula of this chemical is C₁₄H₃₀O.

Physical properties of 1-Decanol,2-butyl-: (1)ACD/LogP: 5.78; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6; (4)ACD/LogD (pH 7.4): 6; (5)ACD/BCF (pH 5.5): 21558; (6)ACD/BCF (pH 7.4): 21558; (7)ACD/KOC (pH 5.5): 44013; (8)ACD/KOC (pH 7.4): 44013; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 12; (12)Polar Surface Area: 20.23 Å²; (13)Index of Refraction: 1.444; (14)Molar Refractivity: 68.403 cm³; (15)Molar Volume: 257.513 cm³; (16)Polarizability: 27.117×10^-24cm³; (17)Surface Tension: 30.116 dyne/cm; (18)Density: 0.833 g/cm³; (19)Flash Point: 110.41 °C; (20)Enthalpy of Vaporization: 59.691 kJ/mol; (21)Boiling Point: 275.713 °C at 760 mmHg; (22)Vapour Pressure: 0.001 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: OCC(CCCCCCCC)CCCC
(2)InChI: InChI=1/C14H30O/c1-3-5-7-8-9-10-12-14(13-15)11-6-4-2/h14-15H,3-13H2,1-2H3
(3)InChIKey: FAOVRYZLXQUFRR-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C14H30O/c1-3-5-7-8-9-10-12-14(13-15)11-6-4-2/h14-15H,3-13H2,1-2H3
(5)Std. InChIKey: FAOVRYZLXQUFRR-UHFFFAOYSA-N

Product Name

2-BUTYL-1-DECANOL

1-Decanol,2-butyl- Specification

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