CAS No.50940-49-3,2-(ACRYLOYLOXY)ETHYL HYDROGEN SUCCINATE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	50940-49-3
Name:	2-(ACRYLOYLOXY)ETHYL HYDROGEN SUCCINATE

Formula:	C₉H₁₂O₆
Molecular Weight:	216.191
Synonyms:	Butanedioicacid, mono[2-[(1-oxo-2-propenyl)oxy]ethyl] ester (9CI);A-SA;Acryloyloxyethylsuccinate;Aronix M 5500;HOA-MS;Light Acrylate HOA-MS;Mono(2-acryloyloxyethyl) succinate;Monoacryloyloxyethyl succinate;NK EsterA-SA;OEA 1-20;4-[2-(acryloyloxy)ethoxy]-4-oxobutanoic acid;4-oxo-4-(2-prop-2-enoyloxyethoxy)butanoic acid;butanedioic acid, mono[2-[(1-oxo-2-propen-1-yl)oxy]ethyl] ester;Butanedioic acid, mono(2-((1-oxo-2-propenyl)oxy)ethyl) ester;
Density:	1.244 g/cm³
Boiling Point:	381.2 °C at 760 mmHg
Flash Point:	150.7 °C
Hazard Symbols:	Xi
Risk Codes:	38-41
Safety:	26-36/37/39
PSA:	89.90000
LogP:	0.12360

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Specification

The Butanedioic acid,1-[2-[(1-oxo-2-propen-1-yl)oxy]ethyl] ester, with the CAS registry number 50940-49-3, has the systematic name of 4-[2-(acryloyloxy)ethoxy]-4-oxobutanoic acid. It is also called 4-oxo-4-(2-prop-2-enoyloxyethoxy)butanoic acid. And the molecular formula of the chemical is C₉H₁₂O₆.

The characteristics of Butanedioic acid,1-[2-[(1-oxo-2-propen-1-yl)oxy]ethyl] ester are as followings: (1)ACD/LogP: 0.68; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.5; (4)ACD/LogD (pH 7.4): -2.3; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 3.69; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 6; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 78.9 Å²; (13)Index of Refraction: 1.471; (14)Molar Refractivity: 48.58 cm³; (15)Molar Volume: 173.7 cm³; (16)Polarizability: 19.26×10^-24cm³; (17)Surface Tension: 45.1 dyne/cm; (18)Density: 1.244 g/cm³; (19)Flash Point: 150.7 °C; (20)Enthalpy of Vaporization: 69.11 kJ/mol; (21)Boiling Point: 381.2 °C at 760 mmHg; (22)Vapour Pressure: 7.25E-07 mmHg at 25°C.

You should be cautious while dealing with this chemical. It irritates to skin, and it also has the risk of serious damage to eyes. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(OCCOC(=O)CCC(=O)O)\C=C
(2)InChI: InChI=1/C9H12O6/c1-2-8(12)14-5-6-15-9(13)4-3-7(10)11/h2H,1,3-6H2,(H,10,11)
(3)InChIKey: UZDMJPAQQFSMMV-UHFFFAOYAB