3-Phenylbut-2-enoic acid supplier

Name
3-Phenylbut-2-enoic acid
EINECS 221-199-2
CAS No. 1199-20-8
Article Data12
CAS DataBase
Density 1.119 g/cm³
Solubility
Melting Point 91 - 93 °C
Formula C₁₀H₁₀O₂
Boiling Point 281.926 °C at 760 mmHg
Molecular Weight 162.188
Flash Point 188.218 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Cinnamicacid, b-methyl- (6CI,7CI,8CI);3-Phenylbut-2-enoic acid;3-Phenylcrotonic acid;NSC 16625;b-Methylcinnamic acid;
PSA 37.30000
LogP 2.17450

3-Phenylbut-2-enoic acid Specification

The cas register number of 3-Phenylbut-2-enoic acid is 1199-20-8. It also can be called as 2-Butenoic acid, 3-phenyl- and the Systematic name about this chemical is (E)-3-phenylbut-2-enoic acid.

Physical properties about 3-Phenylbut-2-enoic acid are: storage temp: (1)ACD/LogP: 2.97 ; (2)# of Rule of 5 Violations: 0 ; (3)ACD/LogD (pH 5.5): 1.67 ; (4)ACD/LogD (pH 7.4): -0.11 ; (5)ACD/BCF (pH 5.5): 5.35; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 49.51; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 26.3Å²; (13)Index of Refraction: 1.561; (14)Molar Refractivity: 46.98 cm³; (15)Molar Volume: 144.8 cm³; (16)Surface Tension: 43.5 dyne/cm; (17)Density: 1.119 g/cm³; (18)Flash Point: 188.2 °C; (19)Enthalpy of Vaporization: 55 kJ/mol; (20)Boiling Point: 281.9 °C at 760 mmHg; (21)Vapour Pressure: 0.00164 mmHg at 25°C.

People can use the following data to convert to the molecule structure.
1.SMILES: O=C(O)\C=C(\c1ccccc1)C
2.InChI: InChI=1/C10H10O2/c1-8(7-10(11)12)9-5-3-2-4-6-9/h2-7H,1H3,(H,11,12)/b8-7+
3.InChIKey: PEXWJYDPDXUVSV-BQYQJAHWBA
4.Std. InChI: InChI=1S/C10H10O2/c1-8(7-10(11)12)9-5-3-2-4-6-9/h2-7H,1H3,(H,11,12)/b8-7+.

Product Name

3-Phenylbut-2-enoic acid

3-Phenylbut-2-enoic acid Specification

Related Products

Hot Products