ChemicalBook--->CAS DataBase List--->4707-47-5

4707-47-5

4707-47-5 Structure

4707-47-5 Structure
IdentificationMore
[Name]

METHYL 2,4-DIHYDROXY-3,6-DIMETHYLBENZOATE
[CAS]

4707-47-5
[Synonyms]

2,4-DIHYDROXY-3,6-DIMETHYL-BENZOIC ACID METHYL ESTER
BETA-RESORCYLIC ACID, 3,6-DIMETHYL:METHYL ESTER
EVERNYL
METHYL 2,4-DIHYDROXY-3,6-DIMETHYLBENZOATE
METHYL ATRATATE
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
Methyl 3,6-dimethylresorcylate
Methyl beta-orcinolcarboxylate
Methyl.beta.-orcinolcarboxylate
Methyl3,6-dimethylresorcylate
METHYL ATRATATE 98+%
Methyl-2,4-dihydroxy-3,6-dimethylbenzoat
3,6-Dimethyl-B-resorcylic acid methyl ester
[EINECS(EC#)]

225-193-0
[Molecular Formula]

C10H12O4
[MDL Number]

MFCD00157202
[Molecular Weight]

196.2
[MOL File]

4707-47-5.mol
Chemical PropertiesBack Directory
[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
[Odor Type]

mossy
[Water Solubility ]

18mg/L at 24℃
[Cosmetics Ingredients Functions]

PERFUMING
[InChI]

1S/C10H12O4/c1-5-4-7(11)6(2)9(12)8(5)10(13)14-3/h4,11-12H,1-3H3
[InChIKey]

UUQHKWMIDYRWHH-UHFFFAOYSA-N
[SMILES]

O(C)C(=O)c1c(c(c(cc1C)O)C)O
[LogP]

2.6 at 25℃
[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 DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P280a-P304+P340-P305+P351+P338-P405-P501a
[Hazard Codes ]

Xi
[Risk Statements ]

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 ]

2
[TSCA ]

Yes
[HS Code ]

2918 29 00
[REACH Registrations]

Active
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[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.
[Uses]

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.
[Definition]

ChEBI: Methyl beta-orcinolcarboxylate is a 4-hydroxybenzoate ester.
[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.
[Flammability and Explosibility]

Notclassified
[Trade name]

Atralone (Agan)
Spectrum DetailBack Directory
[Spectrum Detail]

METHYL 2,4-DIHYDROXY-3,6-DIMETHYLBENZOATE(4707-47-5)1HNMR
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

Methyl 2,4-dihydroxy-3,6-dimethylbenzoate, 99+%(4707-47-5)
[Sigma Aldrich]

4707-47-5(sigmaaldrich)
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