Methyl Atratate

Product Name:

Methyl atratate

Synonyms:

Methyl beta-orcinolcarboxylate;Methyl.beta.-orcinolcarboxylate;Methyl3,6-dimethylresorcylate;2,4-DIHYDROXY-3,6-DIMETHYL-BENZOIC ACID METHYL ESTER;METHYL ATRATATE;METHYL 2,4-DIHYDROXY-3,6-DIMETHYLBENZOATE;BETA-RESORCYLIC ACID, 3,6-DIMETHYL:METHYL ESTER;EVERNYL

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

Melting point 

141-146 °C(lit.)

Boiling point 

360.7±22.0 °C(Predicted)

density 

1.251±0.06 g/cm3(Predicted)

storage temp. 

Store below +30°C.

pka

8.63±0.28(Predicted)

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)

Hazard Codes 

Xi

Risk Statements 

36/37/38

Safety Statements 

26-36

WGK Germany 

2

TSCA 

Yes

HS Code 

2918 29 00

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.

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.

Trade name

Atralone (Agan)