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: 2026-04-03 14:17:14
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. |
Computed Descriptors for METHYL 2,4-DIHYDROXY-3,6-DIMETHYLBENZOATE
METHYL 2,4-DIHYDROXY-3,6-DIMETHYLBENZOATE manufacturer
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