2-Butenoic acid,4-(4-methylphenyl)-4-oxo-, (2E)- supplier

Name
3-(4-METHYLBENZOYL)ACRYLIC ACID
EINECS
CAS No. 20972-36-5
Article Data23
CAS DataBase
Density 1.2 g/cm³
Solubility
Melting Point 138-140 °C (lit.)
Formula C₁₁H₁₀O₃
Boiling Point 361.8 °C at 760 mmHg
Molecular Weight 190.199
Flash Point 186.8 °C
Transport Information
Appearance
Safety 26-37/39
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms 2-Butenoicacid, 4-(4-methylphenyl)-4-oxo-, (E)-;Acrylic acid, 3-p-toluoyl-, (E)- (8CI);4-(4-Methylphenyl)-4-oxo-2(E)-butenoic acid;trans-3-(4-Methylbenzoyl)acrylicacid;trans-b-(p-Methylbenzoyl)acrylicacid;
PSA 54.37000
LogP 1.81850

2-Butenoic acid,4-(4-methylphenyl)-4-oxo-, (2E)- Specification

The 2-Butenoic acid, 4-(4-methylphenyl)-4-oxo-, (2E)-, with the CAS registry number 20972-36-5, is also known as 2-Butenoicacid, 4-(4-methylphenyl)-4-oxo-, (E)-. It belongs to the product categories of Aromatic Cinnamic Acids, Esters and Derivatives. This chemical's molecular formula is C₁₁H₁₀O₃ and molecular weight is 190.2. What's more, its systematic name is (2E)-4-(4-Methylphenyl)-4-oxobut-2-enoic acid.

Physical properties about 2-Butenoic acid, 4-(4-methylphenyl)-4-oxo-, (2E)- are: (1)ACD/LogP: 2.05; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1.67; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 43.37 Å²; (11)Index of Refraction: 1.569; (12)Molar Refractivity: 51.99 cm³; (13)Molar Volume: 158.4 cm³; (14)Polarizability: 20.61×10^-24 cm³; (15)Surface Tension: 48.6 dyne/cm; (16)Density: 1.2 g/cm³; (17)Flash Point: 186.8 °C; (18)Enthalpy of Vaporization: 64.12 kJ/mol; (19)Boiling Point: 361.8 °C at 760 mmHg; (20)Vapour Pressure: 7.24E-06 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. In addition, this chemical may cause inflammation to the skin or other mucous membranes. During using it, wear suitable gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(c1ccc(cc1)C)\C=C\C(=O)O
(2) InChI: InChI=1/C11H10O3/c1-8-2-4-9(5-3-8)10(12)6-7-11(13)14/h2-7H,1H3,(H,13,14)/b7-6+
(3) InChIKey: VNJMEFZKYZHWEO-VOTSOKGWBT

Product Name

3-(4-METHYLBENZOYL)ACRYLIC ACID

2-Butenoic acid,4-(4-methylphenyl)-4-oxo-, (2E)- Specification

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