1,3-Dioxolane,2-butyl-4-methyl- supplier

Name
2-butyl-4-methyl-1,3-dioxolane
EINECS 277-710-4
CAS No. 74094-60-3
Article Data4
CAS DataBase
Density 0.893 g/cm³
Solubility
Melting Point
Formula C₈H₁₆O₂
Boiling Point 166.7 °C at 760 mmHg
Molecular Weight 144.214
Flash Point 53 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Butyl-4-methyl-1,3-dioxolane;2-butyl-4-methyl-1,3-dioxolane;1,3-dioxolane, 2-butyl-4-methyl-;Pentanal propyleneglycol acetal;
PSA 18.46000
LogP 1.93800

1,3-Dioxolane,2-butyl-4-methyl- Specification

The 1,3-Dioxolane,2-butyl-4-methyl-, with the CAS registry number 74094-60-3 and EINECS registry number 277-710-4, has the systematic name and IUPAC name of 2-butyl-4-methyl-1,3-dioxolane. And the molecular formula of the chemical is C₈H₁₆O₂.

The characteristics of 1,3-Dioxolane,2-butyl-4-methyl- are as followings: (1)ACD/LogP: 1.85; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.85; (4)ACD/LogD (pH 7.4): 1.85; (5)ACD/BCF (pH 5.5): 15.08; (6)ACD/BCF (pH 7.4): 15.08; (7)ACD/KOC (pH 5.5): 242.73; (8)ACD/KOC (pH 7.4): 242.73; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 18.46 Å²; (13)Index of Refraction: 1.414; (14)Molar Refractivity: 40.34 cm³; (15)Molar Volume: 161.3 cm³; (16)Polarizability: 15.99×10^-24cm³; (17)Surface Tension: 28.3 dyne/cm; (18)Density: 0.893 g/cm³; (19)Flash Point: 53 °C; (20)Enthalpy of Vaporization: 38.66 kJ/mol; (21)Boiling Point: 166.7 °C at 760 mmHg; (22)Vapour Pressure: 2.32 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O1C(COC1CCCC)C
(2)InChI: InChI=1/C8H16O2/c1-3-4-5-8-9-6-7(2)10-8/h7-8H,3-6H2,1-2H3
(3)InChIKey: WTZJUXYVLRJTMQ-UHFFFAOYAK

Product Name

2-butyl-4-methyl-1,3-dioxolane

1,3-Dioxolane,2-butyl-4-methyl- Specification

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