Methyl 5-allyl-3-methoxysalicylate supplier

Name
Methyl 5-allyl-3-methoxysalicylate
EINECS 287-929-7
CAS No. 85614-43-3
Article Data3
CAS DataBase
Density 1.144 g/cm³
Solubility
Melting Point 54-58 °C(lit.)
Formula C₁₂H₁₄O₄
Boiling Point 324.1 °C at 760 mmHg
Molecular Weight 222.241
Flash Point 119.8 °C
Transport Information
Appearance WHITE TO LIGHT YELLOW POWDER, CRYSTALS,CRYSTALLINE POWDER AND/OR CHUNKS
Safety 26-36
Risk Codes 22-36/37/38
Molecular Structure
Hazard Symbols Xi,Xn
Synonyms 5-allyl-2-hydroxy-3-methoxybenzoic acid methyl Ether;Benzoicacid, 2-hydroxy-3-methoxy-5-(2-propenyl)-, methyl ester (9CI);Methyl5-allyl-2-hydroxy-3-methoxybenzoate;
PSA 55.76000
LogP 1.91590

Methyl 5-allyl-3-methoxysalicylate Specification

This chemical is called Methyl 5-allyl-3-methoxysalicylate, and its CAS registry number is 85614-43-3. With the molecular formula of C₁₂H₁₄O₄, its molecular weight is 222.24. Additionally, its product categories are Aromatic Esters; Organic Acids; (intermediate of alibendol); C12 to C63; Carbonyl Compounds; Esters.

Other characteristics of the Methyl 5-allyl-3-methoxysalicylate can be summarised as followings: (1)ACD/LogP: 2.93; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.93; (4)ACD/LogD (pH 7.4): 2.93; (5)ACD/BCF (pH 5.5): 98.94; (6)ACD/BCF (pH 7.4): 98.74; (7)ACD/KOC (pH 5.5): 933.02; (8)ACD/KOC (pH 7.4): 931.17; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 44.76 Å²; (13)Index of Refraction: 1.535; (14)Molar Refractivity: 60.49 cm³; (15)Molar Volume: 194.1 cm³; (16)Polarizability: 23.98×10^-24cm³; (17)Surface Tension: 40.2 dyne/cm; (18)Density: 1.144 g/cm³; (19)Flash Point: 119.8 °C; (20)Enthalpy of Vaporization: 58.86 kJ/mol; (21)Boiling Point: 324.1 °C at 760 mmHg; (22)Vapour Pressure: 0.000133 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following: This chemical is harmful / irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting 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(OC)c1cc(cc(OC)c1O)C\C=C
2.InChI: InChI=1/C12H14O4/c1-4-5-8-6-9(12(14)16-3)11(13)10(7-8)15-2/h4,6-7,13H,1,5H2,2-3H3
3.InChIKey: LYSUGZLJKRSLHM-UHFFFAOYAS

Product Name

Methyl 5-allyl-3-methoxysalicylate

Methyl 5-allyl-3-methoxysalicylate Specification

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