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85614-43-3

85614-43-3 Structure

85614-43-3 Structure
IdentificationMore
[Name]

Methyl 5-allyl-3-methoxysalicylate
[CAS]

85614-43-3
[Synonyms]

METHYL 5-ALLYL-2-HYDROXY-3-METHOXYBENZOATE
METHYL 5-ALLYL-3-METHOXYSALICYLATE
5-Allyl-2-hydroxy-3-methoxybenzoic Acid Methyl Ester
5-allyl-2-hydroxy-3-methoxybenzoic acid methyl ester (intermediate of alibendol)
2-Hydroxy-3-methoxy-5-(2-propenyl)benzoic acid methyl ester
[EINECS(EC#)]

287-929-7
[Molecular Formula]

C12H14O4
[MDL Number]

MFCD04038819
[Molecular Weight]

222.24
[MOL File]

85614-43-3.mol
Chemical PropertiesBack Directory
[Melting point ]

54-58 °C (lit.)
[Boiling point ]

174°C/12mmHg(lit.)
[density ]

1.144±0.06 g/cm3(Predicted)
[Fp ]

>230 °F
[storage temp. ]

Inert atmosphere,Room Temperature
[solubility ]

soluble in Toluene
[form ]

powder to crystal
[pka]

10.10±0.23(Predicted)
[color ]

White to Almost white
[InChI]

1S/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
[InChIKey]

LYSUGZLJKRSLHM-UHFFFAOYSA-N
[SMILES]

COC(=O)c1cc(CC=C)cc(OC)c1O
[CAS DataBase Reference]

85614-43-3(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xn,Xi
[Risk Statements ]

R22:Harmful if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
[WGK Germany ]

3
[HS Code ]

29189900
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Hazard InformationBack Directory
[Chemical Properties]

White to pale yellow powder
[Uses]

Methyl 5-Allyl-3-methoxysalicylate is a reactant in the synthesis of Fallypride (F101115), enterobactin scaffolds and allylic amines.
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

85614-43-3(sigmaaldrich)
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