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Chavibetol

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Name Chavibetol EINECS
CAS No. 501-19-9 Density 1.05 g/cm3
Solubility Melting Point
Formula C10H12O2 Boiling Point 253.5 °C at 760 mmHg
Molecular Weight 164.20108 Flash Point 122.4 °C
Transport Information Appearance
Safety Risk Codes
Molecular Structure Molecular Structure of 501-19-9 (Chavibetol) Hazard Symbols
Synonyms

Phenol,2-methoxy-5-(2-propenyl)-;m-Eugenol;2-methoxy-5-prop-2-enyl-phenol;Phenol, 5-allyl-2-methoxy-;

 

Specification

The Chavibetol, with the CAS registry number 501-19-9, is also known as 3-Allyl-6-methoxyphenol. This chemical's molecular formula is C10H12O2 and molecular weight is 164.2011. Its IUPAC name is called 2-methoxy-5-prop-2-enylphenol.

Physical properties of Chavibetol: (1)ACD/LogP: 2.20; (2)ACD/LogD (pH 5.5): 2.2; (3)ACD/LogD (pH 7.4): 2.2; (4)ACD/BCF (pH 5.5): 27.88; (5)ACD/BCF (pH 7.4): 27.81; (6)ACD/KOC (pH 5.5): 376.88; (7)ACD/KOC (pH 7.4): 375.94; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Index of Refraction: 1.535; (12)Molar Refractivity: 48.72 cm3; (13)Molar Volume: 156.2 cm3; (14)Surface Tension: 36.5 dyne/cm; (15)Density: 1.05 g/cm3; (16)Flash Point: 122.4 °C; (17)Enthalpy of Vaporization: 51.07 kJ/mol; (18)Boiling Point: 253.5 °C at 760 mmHg; (19)Vapour Pressure: 0.0114 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: COC1=C(C=C(C=C1)CC=C)O
(2)InChI: InChI=1S/C10H12O2/c1-3-4-8-5-6-10(12-2)9(11)7-8/h3,5-7,11H,1,4H2,2H3
(3)InChIKey: NPBVQXIMTZKSBA-UHFFFAOYSA-N

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