Butane,3-methyl-1,1-bis(2-methylpropoxy)- supplier

Name
3-methyl-1,1-bis(2-methylpropoxy)butane
EINECS 236-577-2
CAS No. 13439-98-0
Density 0.84 g/cm³
Solubility
Melting Point
Formula C₁₃H₂₈O₂
Boiling Point 208.1 °C at 760 mmHg
Molecular Weight 216.364
Flash Point 40 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Isovaleraldehyde,diisobutyl acetal (7CI,8CI);Butane, 1,1-diisobutoxy-3-methyl-;
PSA 18.46000
LogP 3.70380

Butane,3-methyl-1,1-bis(2-methylpropoxy)- Specification

The Butane,3-methyl-1,1-bis(2-methylpropoxy)-, with the CAS registry number 13439-98-0, is also known as 1,1-Diisobutoxy-3-methylbutane. Its EINECS registry number is 236-577-2. This chemical's molecular formula is C₁₃H₂₈O₂ and molecular weight is 216.36022. What's more, its systematic name is 3-Methyl-1,1-bis(2-methylpropoxy)butane.

Physical properties about Butane,3-methyl-1,1-bis(2-methylpropoxy)- are: (1)ACD/LogP: 4.31; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.31; (4)ACD/LogD (pH 7.4): 4.31; (5)ACD/BCF (pH 5.5): 1115.45; (6)ACD/BCF (pH 7.4): 1115.45; (7)ACD/KOC (pH 5.5): 5284.01; (8)ACD/KOC (pH 7.4): 5284.01; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 18.46 Å²; (13)Index of Refraction: 1.423; (14)Molar Refractivity: 65.6 cm³; (15)Molar Volume: 257.3 cm³; (16)Polarizability: 26×10^-24 cm³; (17)Surface Tension: 25.4 dyne/cm; (18)Density: 0.84 g/cm³; (19)Flash Point: 40 °C; (20)Enthalpy of Vaporization: 42.62 kJ/mol; (21)Boiling Point: 208.1 °C at 760 mmHg; (22)Vapour Pressure: 0.314 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O(CC(C)C)C(OCC(C)C)CC(C)C
(2) InChI: InChI=1/C13H28O2/c1-10(2)7-13(14-8-11(3)4)15-9-12(5)6/h10-13H,7-9H2,1-6H3
(3) InChIKey: XQJQKXSIFKNEPF-UHFFFAOYAK

Product Name

3-methyl-1,1-bis(2-methylpropoxy)butane

Butane,3-methyl-1,1-bis(2-methylpropoxy)- Specification

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