CAS No.531-26-0,4-allyl-2-methoxyphenyl benzoate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	531-26-0
Name:	4-allyl-2-methoxyphenyl benzoate
Article Data:	19

Formula:	C₁₇H₁₆O₃
Molecular Weight:	268.312
Synonyms:	Eugenolbenzoate (6CI);Phenol, 2-methoxy-4-(2-propenyl)-, benzoate (9CI);Phenol,4-allyl-2-methoxy-, benzoate (7CI,8CI);4-Allyl-2-methoxyphenyl benzoate;Benzoyl eugenol;Eugenyl benzoate;NSC 408913;2-Methoxy-4-(prop-2-en-1-yl)phenyl benzoate;2-Methoxy-4-(2-propenyl)phenol benzoate;p-Eugenol, benzoate;
EINECS:	208-504-4
Density:	1.112 g/cm³
Boiling Point:	360 °C at 760 mmHg
Flash Point:	181.3 °C
PSA:	35.53000
LogP:	3.64290

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Specification

The Phenol,2-methoxy-4-(2-propen-1-yl)-, 1-benzoate, with the CAS registry number 531-26-0, is also known as 4-Allyl-2-methoxyphenyl benzoate. This chemical's molecular formula is C₁₇H₁₆O₃ and molecular weight is 268.31. What's more, its systematic name is 2-Methoxy-4-(prop-2-en-1-yl)phenyl benzoate and its EINECS number is 208-504-4.

Physical properties of Phenol,2-methoxy-4-(2-propen-1-yl)-, 1-benzoate are: (1)ACD/LogP: 4.54; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.54; (4)ACD/LogD (pH 7.4): 4.54; (5)ACD/BCF (pH 5.5): 1647.76; (6)ACD/BCF (pH 7.4): 1647.76; (7)ACD/KOC (pH 5.5): 6986.34; (8)ACD/KOC (pH 7.4): 6986.34; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 35.53 Å²; (13)Index of Refraction: 1.564; (14)Molar Refractivity: 78.48 cm³; (15)Molar Volume: 241.2 cm³; (16)Polarizability: 31.11×10^-24cm³; (17)Surface Tension: 39.9 dyne/cm; (18)Density: 1.112 g/cm³; (19)Flash Point: 181.3 °C; (20)Enthalpy of Vaporization: 60.57 kJ/mol; (21)Boiling Point: 360 °C at 760 mmHg; (22)Vapour Pressure: 2.29E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: COC1=C(C=CC(=C1)CC=C)OC(=O)C2=CC=CC=C2
(2)InChI: InChI=1S/C17H16O3/c1-3-7-13-10-11-15(16(12-13)19-2)20-17(18)14-8-5-4-6-9-14/h3-6,8-12H,1,7H2,2H3
(3)InChIKey: ZOGNBLKDKPCKGB-UHFFFAOYSA-N