2-Butene-1,4-diylbutyrate supplier

Name
2-Butene-1,4-diylbutyrate
EINECS
CAS No. 1572-84-5
Article Data5
CAS DataBase
Density 1.004 g/cm³
Solubility
Melting Point
Formula C₁₂H₂₀O₄
Boiling Point 103-104 °C
Molecular Weight 228.288
Flash Point 142 °C
Transport Information
Appearance Colorless and transparent liquid
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Butanoicacid, 2-butene-1,4-diyl ester (9CI);Butyric acid, 2-butenylene ester(6CI,7CI);2-Butene-1,4-diol dibutyrate;
PSA 52.60000
LogP 2.22920

2-Butene-1,4-diylbutyrate Specification

This chemical is called 2-Butene-1,4-diylbutyrate, and its CAS registry number is 1572-84-5. With the molecular formula of C₁₂H₂₀O₄, its molecular weight is 228.28. Additionally, its product category is Industrial / Fine Chemicals.

Other characteristics of the 2-Butene-1,4-diylbutyrate can be summarised as followings: (1)ACD/LogP: 3.10; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.1; (4)ACD/LogD (pH 7.4): 3.1; (5)#H bond acceptors: 4; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 10; (8)Polar Surface Area: 52.6 Å²; (9)Index of Refraction: 1.451; (10)Molar Refractivity: 61.25 cm³; (11)Molar Volume: 227.1 cm³; (12)Polarizability: 24.28×10^-24cm³; (13)Surface Tension: 33.4 dyne/cm; (14)Density: 1.004 g/cm³; (15)Flash Point: 141.8 °C; (16)Enthalpy of Vaporization: 54.27 kJ/mol; (17)Boiling Point: 302.5 °C at 760 mmHg; (18)Vapour Pressure: 0.000985 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: CCCC(=O)OCC=CCOC(=O)CCC
2.InChI: InChI=1/C12H20O4/c1-3-7-11(13)15-9-5-6-10-16-12(14)8-4-2/h5-6H,3-4,7-10H2,1-2H3/b6-5-
3.InChIKey: OGJKSGMVEHGEKF-WAYWQWQTB

Product Name

2-Butene-1,4-diylbutyrate

2-Butene-1,4-diylbutyrate Specification

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