Ethyl trans-4-oxo-2-butenoate supplier

Name
ETHYL TRANS-4-OXO-2-BUTENOATE
EINECS 1592732-453-0
CAS No. 2960-66-9
Article Data33
CAS DataBase
Density 1.05 g/cm³
Solubility Slightly soluble in water(2.6 g/L at 25°C).
Melting Point -9ºC
Formula C₆H₈O₃
Boiling Point 199.3 °C at 760 mmHg
Molecular Weight 128.128
Flash Point 78.6 °C
Transport Information UN 2927
Appearance
Safety 23-36/37/39-45
Risk Codes 25-34-43
Molecular Structure
Hazard Symbols R25:Toxic if swallowed.; R34:Causes burns.; R43:May cause sensitization by skin contact.;
Synonyms (E)-Ethyl 4-oxo-2-butenoate;(E)-4-Oxo-2-butenoicacid ethyl ester;Ethyl (2E)-4-oxobut-2-enoate;Ethyl (E)-3-formylacrylate;Ethyl fumaraldehydate;Ethyltrans-4-oxo-2-butenoate;Ethyl trans-4-oxo-2-butenoate;Ethyltrans-4-oxobutenoate;(2E)-4-Oxobut-2-enoic acid ethyl ester;Fumaraldehydic acid, ethyl ester(6CI,7CI,8CI);2-Butenoicacid, 4-oxo-, ethyl ester, (E)-;2-butenoic acid, 4-oxo-, ethyl ester, (2E)-;Ethyl (2E)-4-oxobut-2-enoate;
PSA 43.37000
LogP 0.30460

Ethyl trans-4-oxo-2-butenoate Specification

The 2-Butenoic acid,4-oxo-, ethyl ester, (2E)-, with the CAS registry number 2960-66-9, has the systematic name of ethyl (2E)-4-oxobut-2-enoate. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C₆H₈O₃.

The characteristics of 2-Butenoic acid,4-oxo-, ethyl ester, (2E)- are as followings: (1)ACD/LogP: 0.00; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 23.77; (8)ACD/KOC (pH 7.4): 23.77; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 43.37 Å²; (13)Index of Refraction: 1.435; (14)Molar Refractivity: 31.86 cm³; (15)Molar Volume: 121.9 cm³; (16)Polarizability: 12.63×10^-24cm³; (17)Surface Tension: 32.6 dyne/cm; (18)Density: 1.05 g/cm³; (19)Flash Point: 78.6 °C; (20)Enthalpy of Vaporization: 43.55 kJ/mol; (21)Boiling Point: 199.3 °C at 760 mmHg; (22)Vapour Pressure: 0.343 mmHg at 25°C.

Uses of 2-Butenoic acid,4-oxo-, ethyl ester, (2E)-: It can react with benzenesulfonamide to produce N-(Phenylsulfonyl)-(4-ethoxycarbonyl)-1-aza-1,3-butadiene. This reaction will need reagent TiCl₄, and the menstruum CH₂Cl₂. The reaction time is 8 hours with temperature of 0°C, and the yield is about 60%.

You should be cautious while dealing with this chemical. It is toxic if swallowed, and may cause sensitization by skin contact. What's more, it may also cause burns. Therefore, you had better take the following instructions: Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer); Wear suitable protective clothing, gloves and eye/face protection, and if in case of accident or if you feel unwell, seek medical advice immediately (show label where possible).

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C\C=C\C(=O)OCC
(2)InChI: InChI=1/C6H8O3/c1-2-9-6(8)4-3-5-7/h3-5H,2H2,1H3/b4-3+
(3)InChIKey: SDGAEBKMHIPSAC-ONEGZZNKBW

Product Name

ETHYL TRANS-4-OXO-2-BUTENOATE

Ethyl trans-4-oxo-2-butenoate Specification

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