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

Synonym(s):3,6-Dimethyl-ß-resorcylic acid methyl ester;Methyl 2,4-dihydroxy-3,6-dimethylbenzoate

CAS NO.：4707-47-5
Empirical Formula: C10H12O4
Molecular Weight: 196.2
MDL number: MFCD00157202
EINECS: 225-193-0
SAFETY DATA SHEET (SDS)
Update Date: 2024-11-18 17:01:59

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

What is METHYL 2,4-DIHYDROXY-3,6-DIMETHYLBENZOATE?

Chemical properties

Methyl 3,6-Dimethylresorcylate is an odor-determining constituent of oakmoss absolute extract and forms colorless crystals (mp 145°C) with a mossy–earthy odor.

The Uses of METHYL 2,4-DIHYDROXY-3,6-DIMETHYLBENZOATE

Methyl atratate is used in biological study as role of androgens in inducing distinct response of epithelial-mesenchymal transition factors in human prostate cancer cells.

Preparation

Methyl 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.

Definition

ChEBI: Methyl beta-orcinolcarboxylate is a 4-hydroxybenzoate ester.

Flammability and Explosibility

Not classified

Trade name

Atralone (Agan)

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

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.
form	Powder
pka	8.63±0.28(Predicted)
color	White to off-white
Odor	at 10.00 % in dipropylene glycol. mossy oakmoss woody phenolic earthy
Water Solubility	18mg/L at 24℃
CAS DataBase Reference	4707-47-5(CAS DataBase Reference)
EPA Substance Registry System	Benzoic acid, 2,4-dihydroxy-3,6-dimethyl-, methyl ester (4707-47-5)

Safety information for METHYL 2,4-DIHYDROXY-3,6-DIMETHYLBENZOATE

Signal word	Warning
Pictogram(s)	Exclamation Mark Irritant GHS07
GHS Hazard Statements	H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes	P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P304+P340:IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P405:Store locked up.