2,3-Butadienoic acid,ethyl ester supplier

Name
ETHYL 2 3-BUTADIENOATE 95
EINECS
CAS No. 14369-81-4
Article Data1
CAS DataBase
Density 0.898 g/cm³
Solubility
Melting Point
Formula C₆H₈O₂
Boiling Point 136.5 °C at 760 mmHg
Molecular Weight 112.128
Flash Point 47.8 °C
Transport Information UN 1993 3/PG 2
Appearance
Safety
Risk Codes 10
Molecular Structure
Hazard Symbols R10:;
Synonyms Ethyl buta-2,3-dienoate;Ethyl butadienoate;(Ethoxycarbonyl)allene;Ethylallenecarboxylate;Butadienoicacid, ethyl ester (6CI,7CI,8CI);
PSA 26.30000
LogP 0.89060

2,3-Butadienoic acid,ethyl ester Specification

The 2,3-Butadienoic acid,ethyl ester, with the CAS registry number 14369-81-4, is also known as Ethyl butadienoate. It belongs to the product categories of Allenes; Building Blocks; Organic Building Blocks. This chemical's molecular formula is C₆H₈O₂ and molecular weight is 112.13. What's more, its systematic name is ethyl buta-2,3-dienoate. It is flammable.

Physical properties of 2,3-Butadienoic acid,ethyl ester are: (1)ACD/LogP: 1.46; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.46; (4)ACD/LogD (pH 7.4): 1.46; (5)ACD/BCF (pH 5.5): 7.56; (6)ACD/BCF (pH 7.4): 7.56; (7)ACD/KOC (pH 5.5): 148.01; (8)ACD/KOC (pH 7.4): 148.01; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.416; (14)Molar Refractivity: 31.32 cm³; (15)Molar Volume: 124.8 cm³; (16)Polarizability: 12.41×10^-24cm³; (17)Surface Tension: 14.3 dyne/cm; (18)Density: 0.898 g/cm³; (19)Flash Point: 47.8 °C; (20)Enthalpy of Vaporization: 37.39 kJ/mol; (21)Boiling Point: 136.5 °C at 760 mmHg; (22)Vapour Pressure: 7.36 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCOC(=O)C=C=C
(2)InChI: InChI=1S/C6H8O2/c1-3-5-6(7)8-4-2/h5H,1,4H2,2H3
(3)InChIKey: GLSUOACRAMLJIW-UHFFFAOYSA-N

Product Name

ETHYL 2 3-BUTADIENOATE 95

2,3-Butadienoic acid,ethyl ester Specification

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