2-Propenoic acid, 3-phenyl-, 1-methylheptyl ester supplier

Name
1-methylheptyl (2E)-3-phenylprop-2-enoate
EINECS
CAS No. 622-01-5
Density 0.977 g/cm³
Solubility
Melting Point
Formula C₁₇H₂₄O₂
Boiling Point 360.3 °C at 760 mmHg
Molecular Weight 260.376
Flash Point 188.9 °C
Transport Information
Appearance pale brown fused solid
Safety 26-36
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols
Synonyms Cinnamicacid, 1-methylheptyl ester (7CI,8CI);NSC 4195;
PSA
LogP

2-Propenoic acid, 3-phenyl-, 1-methylheptyl ester Specification

This chemical is called 2-Propenoic acid, 3-phenyl-, 1-methylheptyl ester, and its CAS registry number is 622-01-5. With the molecular formula of C₁₇H₂₄O₂, its molecular weight is 260.37. Additionally, its product category is Pyridinium Compounds.

Other characteristics of the 2-Propenoic acid, 3-phenyl-, 1-methylheptyl ester can be summarised as followings: (1)ACD/LogP: 5.71; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.71; (4)ACD/LogD (pH 7.4): 5.71; (5)ACD/BCF (pH 5.5): 12918.02; (6)ACD/BCF (pH 7.4): 12918.02; (7)ACD/KOC (pH 5.5): 30505.81; (8)ACD/KOC (pH 7.4): 30505.81; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.519; (14)Molar Refractivity: 80.93 cm³; (15)Molar Volume: 266.3 cm³; (16)Polarizability: 32.08×10^-24cm³; (17)Surface Tension: 35.6 dyne/cm; (18)Density: 0.977 g/cm³; (19)Flash Point: 188.9 °C; (20)Enthalpy of Vaporization: 60.6 kJ/mol; (21)Boiling Point: 360.3 °C at 760 mmHg; (22)Vapour Pressure: 2.25E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(OC(C)CCCCCC)\C=C\c1ccccc1
2.InChI: InChI=1/C17H24O2/c1-3-4-5-7-10-15(2)19-17(18)14-13-16-11-8-6-9-12-16/h6,8-9,11-15H,3-5,7,10H2,1-2H3/b14-13+
3.InChIKey: BAFXDTKXIVTRPP-BUHFOSPRBK

Product Name

1-methylheptyl (2E)-3-phenylprop-2-enoate

2-Propenoic acid, 3-phenyl-, 1-methylheptyl ester Specification

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