METHYL 2,4-DIHYDROXY-3,6-DIMETHYLBENZOATE

METHYL 2,4-DIHYDROXY-3,6-DIMETHYLBENZOATE Basic information
Product Name:METHYL 2,4-DIHYDROXY-3,6-DIMETHYLBENZOATE
Synonyms:MOUSSE DE METRA;VERAMOSS;VERAMOSS SPS;2,4-dihydroxy-3,6-dimethyl-benzoicacimethylester;Atraric acid;Benzoic acid, 2,4-dihydroxy-3,6-dimethyl-, methyl ester;Benzoicacid,2,4-dihydroxy-3,6-dimethyl-,methylester;Methyl 3,6-dimethyl-beta-resorcylate
CAS:4707-47-5
MF:C10H12O4
MW:196.2
EINECS:225-193-0
Product Categories:Alphabetical Listings;Flavors and Fragrances;M-N
Mol File:4707-47-5.mol
METHYL 2,4-DIHYDROXY-3,6-DIMETHYLBENZOATE Structure
METHYL 2,4-DIHYDROXY-3,6-DIMETHYLBENZOATE Chemical Properties
Melting point 141-146 °C (lit.)
Boiling point 360.7±22.0 °C(Predicted)
density 1.251±0.06 g/cm3(Predicted)
vapor pressure 0.002Pa at 24℃
storage temp. Store below +30°C.
solubility Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
pka8.63±0.28(Predicted)
form Powder
Odorat 10.00 % in dipropylene glycol. mossy oakmoss woody phenolic earthy
Odor Typemossy
Water Solubility 18mg/L at 24℃
LogP2.6 at 25℃
CAS DataBase Reference4707-47-5(CAS DataBase Reference)
EPA Substance Registry SystemBenzoic acid, 2,4-dihydroxy-3,6-dimethyl-, methyl ester (4707-47-5)
Safety Information
Hazard Codes Xi
Risk Statements 36/37/38
Safety Statements 26-36
WGK Germany 2
TSCA Yes
HS Code 2918 29 00
MSDS Information
ProviderLanguage
SigmaAldrich English
ALFA English
METHYL 2,4-DIHYDROXY-3,6-DIMETHYLBENZOATE Usage And Synthesis
Chemical PropertiesMethyl 3,6-Dimethylresorcylate is an odor-determining constituent of oakmoss absolute extract and forms colorless crystals (mp 145°C) with a mossy–earthy odor.
UsesMethyl atratate is used in biological study as role of androgens in inducing distinct response of epithelial-mesenchymal transition factors in human prostate cancer cells.
PreparationMethyl 3,6-dimethylresorcylate is prepared by aromatization of corresponding hydroxycyclohexenones, for example, by dehydrogenation with a suitable Nhaloimide.
The intermediate hydroxycyclohexenone can be obtained either by reaction of dimethylmalonate with 4-hexen-3-one and 5-chloro-3-hexanone or by reaction of methyl propionylacetate with alkyl crotonate.
Another route starts from the corresponding dimethyl-1,3-dihydroxybenzene, which is carboxylated, and the resulting dihydroxymethylbenzoic acid is esterified.

DefinitionChEBI: Methyl beta-orcinolcarboxylate is a 4-hydroxybenzoate ester.
Flammability and ExplosibilityNotclassified
Trade nameAtralone (Agan)
METHYL 2,4-DIHYDROXY-3,6-DIMETHYLBENZOATE Preparation Products And Raw materials
Preparation Products3-CHLORO-2,6-DIHYDROXY-4-METHYLBENZALDEHYDE
LEOIDIN(SH) ethyl 2,4-dihydroxy-3,6-dimethylbenzoate thielocin B3 RARECHEM AN KA 0370 RARECHEM AN KA 0302 STICTIC ACID RARECHEM AN KB 0370 PSOROMIC ACID FUMARPROTOCETRARIC ACID MOLLICELLINE RARECHEM AN KA 2323 ATRANORIN PS 990 MOLLICELLINC BRYOPOGONIC ACID DIFFRACTIC ACID RARECHEM AN KB 0302 MOLLICELLIN D

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