2-Butenoic acid,2-ethyl-, (2E)- supplier

Name
2-Ethylcrotonic acid
EINECS
CAS No. 1187-13-9
Article Data23
CAS DataBase
Density 0.987g/cm³
Solubility
Melting Point 45.5°C
Formula C₆H₁₀O₂
Boiling Point 207.6 °C at 760 mmHg
Molecular Weight 114.144
Flash Point 113.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Butenoicacid, 2-ethyl-, (E)-;(2E)-2-Ethylbut-2-enoic acid;
PSA 37.30000
LogP 1.42730

2-Butenoic acid,2-ethyl-, (2E)- Specification

The 2-Butenoic acid, 2-ethyl-, (2E)-, with the CAS registry number 1187-13-9, is also known as (2E)-2-Ethylbut-2-enoic acid. This chemical's molecular formula is C₆H₁₀O₂ and molecular weight is 114.1424. What's more, its IUPAC name is (E)-2-Ethylbut-2-enoic acid.

Physical properties about 2-Butenoic acid, 2-ethyl-, (2E)- are: (1)ACD/LogP: 1.89; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.27; (4)ACD/LogD (pH 7.4): -0.49; (5)ACD/BCF (pH 5.5): 3.86; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 61.19; (8)ACD/KOC (pH 7.4): 1.06; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.454; (14)Molar Refractivity: 31.31 cm³; (15)Molar Volume: 115.6 cm³; (16)Polarizability: 12.41×10^-24 cm³; (17)Surface Tension: 32.4 dyne/cm; (18)Density: 0.987 g/cm³; (19)Flash Point: 113.9 °C; (20)Enthalpy of Vaporization: 48.91 kJ/mol; (21)Boiling Point: 207.6 °C at 760 mmHg; (22)Vapour Pressure: 0.0899 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)/C(=C/C)CC
(2) InChI: InChI=1/C6H10O2/c1-3-5(4-2)6(7)8/h3H,4H2,1-2H3,(H,7,8)/b5-3+
(3) InChIKey: KFSQJVOLYQRELE-HWKANZROBY

Product Name

2-Ethylcrotonic acid

2-Butenoic acid,2-ethyl-, (2E)- Specification

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