Methyl 2,4-dihydroxy-3,6-dimethylbenzoate supplier

Name
METHYL 2,4-DIHYDROXY-3,6-DIMETHYLBENZOATE
EINECS 225-193-0
CAS No. 4707-47-5
Article Data48
CAS DataBase
Density 1.251 g/cm³
Solubility 18mg/L at 24℃
Melting Point 141-146°C(lit.)
Formula C₁₀H₁₂O₄
Boiling Point 360.7 °C at 760 mmHg
Molecular Weight 196.203
Flash Point 143.9 °C
Transport Information
Appearance white to pinkish yellow crystalline powder (est)
Safety 26-36
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols R36/37/38:Irritating to eyes, respiratory system and skin.;
Synonyms Atraricacid (6CI);b-Resorcylicacid, 3,6-dimethyl-, methyl ester (7CI,8CI);Everniate;Evernyl;LRG 201;Methyl 2,4-dihydroxy-3,6-dimethylbenzoate;Methyl3,6-dimethyl-2,4-dihydroxybenzoate;Methyl 3,6-dimethyl-b-resorcylate;Methyl atrarate;Methyl b-orcinolcarboxylate;Methyl b-orsellinate;Moss Synth;Moussecristal;Oakmoss synthetic;Veramoss;
PSA 66.76000
LogP 1.50120

Synthetic route

: 4707-46-4
2,4-dihydroxy-3,6-dimethylbenzoic acid

: 74-88-4
methyl iodide

: 4707-47-5
2,4-dihydroxy-3,6-dimethyl-benzoic acid methyl ester

Conditions

Conditions	Yield
Stage #1: 2,4-dihydroxy-3,6-dimethylbenzoic acid With potassium hydrogencarbonate In N,N-dimethyl-formamide at 40℃; for 0.166667h; Inert atmosphere; Stage #2: methyl iodide In N,N-dimethyl-formamide for 1.41667h; Inert atmosphere;	90.4%

: methyl 4-hydroxy-3,6-dimethyl-2-oxycyclohex-3-enecarboxylate

: 4707-47-5
2,4-dihydroxy-3,6-dimethyl-benzoic acid methyl ester

Conditions

Conditions	Yield
With copper(II) choride dihydrate; sodium chloride In acetonitrile at 85℃; for 5h;	88.7%
With copper(II) choride dihydrate; sodium chloride In acetonitrile at 85℃; for 5h;	88.7%
With copper(II) choride dihydrate; sodium chloride In acetonitrile at 85℃; for 5h;	88.7%
With copper(II) choride dihydrate; sodium chloride In acetonitrile at 85℃; for 5h;	88.7%
With copper(II) choride dihydrate; sodium chloride In acetonitrile at 85℃; for 5h;	88.7%

: 67-56-1
methanol

: 31581-32-5
ethyl 2,4-dihydroxy-3,6-dimethylbenzoate

: 4707-47-5
2,4-dihydroxy-3,6-dimethyl-benzoic acid methyl ester

Conditions

Conditions	Yield
With sodium methylate for 24h; transesterification; Heating;	84%

: 34874-90-3
methyl haematommate

: 4707-47-5
2,4-dihydroxy-3,6-dimethyl-benzoic acid methyl ester

Conditions

Conditions	Yield
With hydrogenchloride; mercury; zinc In methanol Reduction;	78%
With hydrogenchloride; amalgamated zinc
Multi-step reaction with 2 steps 1: sodium iodide; potassium carbonate; acetone 2: Hydrogenation View Scheme
Multi-step reaction with 2 steps 1: sodium iodide; potassium carbonate; acetone 2: Hydrogenation View Scheme

: 127-19-5
N,N-dimethyl acetamide

: 75950-51-5
methyl 3,5-dioxo-4-methylhexanoate

: 4707-47-5
2,4-dihydroxy-3,6-dimethyl-benzoic acid methyl ester

Conditions

Conditions	Yield
With lithium diisopropyl amide for 10h; Product distribution; Ambient temperature; other time, reagents ratio;	36%

: 19104-04-2
methyl 2-hydroxy-4-methoxy-3,6-dimethylbenzoate

: 4707-47-5
2,4-dihydroxy-3,6-dimethyl-benzoic acid methyl ester

Conditions

Conditions	Yield
In methanol; water	18%

Cu2 O: Cu2 O

: methyl 3,6-dimethyldihydro-β-resorcylate

: 19104-04-2
methyl 2-hydroxy-4-methoxy-3,6-dimethylbenzoate

: 4707-47-5
2,4-dihydroxy-3,6-dimethyl-benzoic acid methyl ester

Conditions

Conditions	Yield
With hydrogenchloride In methanol	10%

...Expand

: 186581-53-3, 908094-01-9
diazomethane

: 4707-46-4
2,4-dihydroxy-3,6-dimethylbenzoic acid

: 4707-47-5
2,4-dihydroxy-3,6-dimethyl-benzoic acid methyl ester

Conditions

Conditions	Yield
With diethyl ether
In diethyl ether

: 67-56-1
methanol

: 479-16-3
chloroatranorin

A: 4707-47-5
2,4-dihydroxy-3,6-dimethyl-benzoic acid methyl ester

B: methyl chlorohaemmatommate

Conditions

Conditions	Yield
at 155℃;

...Expand

: 64-17-5
ethanol

: 479-20-9
atranorin

A: 4707-47-5
2,4-dihydroxy-3,6-dimethyl-benzoic acid methyl ester

B: 39503-14-5
ethyl hematommate

Conditions

Conditions	Yield
With alkali at 150℃; im Rohr;

...Expand

: 123-51-3
i-Amyl alcohol

: 479-20-9
atranorin

A: 4707-47-5
2,4-dihydroxy-3,6-dimethyl-benzoic acid methyl ester

B: 3-formyl-2,4-dihydroxy-6-methyl-benzoic acid isopentyl ester

Conditions

Conditions	Yield
With alkali at 150℃; im Rohr;

...Expand

: 479-20-9
atranorin

: 4707-47-5
2,4-dihydroxy-3,6-dimethyl-benzoic acid methyl ester

Conditions

Conditions	Yield
With acetic acid
With water
With ethanol

: 479-20-9
atranorin

A: 4707-47-5
2,4-dihydroxy-3,6-dimethyl-benzoic acid methyl ester

B: 34874-90-3
methyl haematommate

Conditions

Conditions	Yield
With methanol at 150℃; im Rohr;

: 479-20-9
atranorin

A: 4707-47-5
2,4-dihydroxy-3,6-dimethyl-benzoic acid methyl ester

B: 62392-82-9
2,4-dihydroxy-6-methyl-3-(phenylimino-methyl)-benzoic acid ethyl ester

Conditions

Conditions	Yield
With ethanol; aniline

: 479-16-3
chloroatranorin

: 4707-47-5
2,4-dihydroxy-3,6-dimethyl-benzoic acid methyl ester

Conditions

Conditions	Yield
With acetic acid at 150℃;
With methanol at 150℃;

: 72935-20-7
2-benzyloxy-3-formyl-4-hydroxy-6-methyl-benzoic acid methyl ester

: 4707-47-5
2,4-dihydroxy-3,6-dimethyl-benzoic acid methyl ester

Conditions

Conditions	Yield
Hydrogenation;

: 72935-21-8
methyl 4-benzyloxy-3-formyl-2-hydroxy-6-methylbenzoate

: 4707-47-5
2,4-dihydroxy-3,6-dimethyl-benzoic acid methyl ester

Conditions

Conditions	Yield
Hydrogenation;

: 15222-49-8
2-hydroxy-4-methoxy-6-methyl-isophthalic acid-1-(3-hydroxy-4-methoxycarbonyl-2,5-dimethyl-phenyl ester)-3-methyl ester

: 4707-47-5
2,4-dihydroxy-3,6-dimethyl-benzoic acid methyl ester

Conditions

Conditions	Yield
With sulfuric acid

: 479-16-3
chloroatranorin

: 64-19-7
acetic acid

A: 57074-21-2
3-chloro-2,6-dihydroxy-4-methylbenzaldehyde

B: 4707-47-5
2,4-dihydroxy-3,6-dimethyl-benzoic acid methyl ester

Conditions

Conditions	Yield
at 150℃;

...Expand

: 64-17-5
ethanol

: 479-20-9
atranorin

: 62-53-3
aniline

A: 4707-47-5
2,4-dihydroxy-3,6-dimethyl-benzoic acid methyl ester

B: 62392-82-9
2,4-dihydroxy-6-methyl-3-(phenylimino-methyl)-benzoic acid ethyl ester

...Expand

: 479-20-9
atranorin

: 62-53-3
aniline

A: 4707-47-5
2,4-dihydroxy-3,6-dimethyl-benzoic acid methyl ester

B: 2,4-dihydroxy-6-methyl-3-(phenylimino-methyl)-benzoic acid methyl ester

Conditions

Conditions	Yield
With methanol

...Expand

: 4030-18-6
N-(acetyl)pyrrolidine

: 75950-51-5
methyl 3,5-dioxo-4-methylhexanoate

: 4707-47-5
2,4-dihydroxy-3,6-dimethyl-benzoic acid methyl ester

Conditions

Conditions	Yield
With lithium diisopropyl amide 1.) 4 h, room temperature, 2.) pH 9.2 buffer, overnight; Yield given. Multistep reaction;

: 127-19-5
N,N-dimethyl acetamide

: 75950-51-5
methyl 3,5-dioxo-4-methylhexanoate

A: 4707-47-5
2,4-dihydroxy-3,6-dimethyl-benzoic acid methyl ester

B: 75950-52-6
n-butyl 2,4-dihydroxy-3,6-dimethylbenzoate

Conditions

Conditions	Yield
With lithium diisopropyl amide for 12h; Ambient temperature;

...Expand

: 479-20-9
atranorin

A: 504-15-4
orcinol

B: 526-37-4
atranol

C: 488-87-9
2,5-dimethyl-1,3-benzenediol

D: 4707-47-5
2,4-dihydroxy-3,6-dimethyl-benzoic acid methyl ester

E: 34874-90-3
methyl haematommate

F: 3-hydroxy-2,5-dimethylphenyl 2,4-dihydroxy-3,6-dimethylbenzoate

Conditions

Conditions	Yield
at 230 - 250℃; for 0.75h; Product distribution; pyrolysis;

...Expand

: 20929-21-9
1,1,4-trimethyl, 4-acetyl-ethylenediamine

: 75950-51-5
methyl 3,5-dioxo-4-methylhexanoate

: 4707-47-5
2,4-dihydroxy-3,6-dimethyl-benzoic acid methyl ester

Conditions

Conditions	Yield
With lithium diisopropyl amide 1.) 4 h, room temperature, 2.) pH 9.2 buffer, overnight; Yield given. Multistep reaction;

: 127-19-5
N,N-dimethyl acetamide

: 616-38-6
carbonic acid dimethyl ester

: 815-57-6
3-Methyl-2,4-pentanedione

: 4707-47-5
2,4-dihydroxy-3,6-dimethyl-benzoic acid methyl ester

Conditions

Conditions	Yield
Multistep reaction;

...Expand

: 479-16-3
chloroatranorin

: 75-65-0
tert-butyl alcohol

A: 4707-47-5
2,4-dihydroxy-3,6-dimethyl-benzoic acid methyl ester

B: tert-butyl 5-chlorohaematommate

Conditions

Conditions	Yield
for 40h; Heating;

...Expand

2.5-dimethyl-cyclohexanedione-(4.6)-carboxylic acid-(1)-methyl ester: 2.5-dimethyl-cyclohexanedione-(4.6)-carboxylic acid-(1)-methyl ester

: 4707-47-5
2,4-dihydroxy-3,6-dimethyl-benzoic acid methyl ester

Conditions

Conditions	Yield
With palladium asbestos at 150℃;

barbatic acid methyl ester: barbatic acid methyl ester

: 4707-47-5
2,4-dihydroxy-3,6-dimethyl-benzoic acid methyl ester

Conditions

Conditions	Yield
With sulfuric acid

: 4707-47-5
2,4-dihydroxy-3,6-dimethyl-benzoic acid methyl ester

: 148014-54-4
3-Acetoxymethyl-4,6-dimethoxy-2,5-dimethyl-benzoic acid methyl ester

: 148014-55-5
(3-carbomethoxy-4,6-dihydroxy-2,5-dimethylphenyl)-(3-carbomethoxy-4,6-dimethoxy-2,5-dimethylphenyl)methane

Conditions

Conditions	Yield
With boron trifluoride diethyl etherate In toluene for 0.25h; Ambient temperature;	100%

: 4707-47-5
2,4-dihydroxy-3,6-dimethyl-benzoic acid methyl ester

: 74-88-4
methyl iodide

: 58061-99-7
methyl 2,4-dimethoxy-3,6-dimethylbenzoate

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide at 20 - 50℃; Inert atmosphere;	98%
With potassium carbonate In acetone Reflux;	50%

: 4707-47-5
2,4-dihydroxy-3,6-dimethyl-benzoic acid methyl ester

: 947-52-4
methyl 3-chloro-4,6-dihydroxy-2,5-dimethylbenzoate

Conditions

Conditions	Yield
With N-chloro-succinimide In acetonitrile at 50℃; for 5h;	98%

: 4707-47-5
2,4-dihydroxy-3,6-dimethyl-benzoic acid methyl ester

: 72922-67-9
methyl 5-bromo-2,4-dihydroxy-3,6-dimethylbenzoate

Conditions

Conditions	Yield
With bromine In tetrachloromethane; acetic acid for 1h; Ambient temperature;	96%

: 4707-47-5
2,4-dihydroxy-3,6-dimethyl-benzoic acid methyl ester

: 90689-60-4
physodalic acid

: 4-formyl-3,8-dihydroxy-9-(2,4-dihydroxy-5-methoxycarbonyl-3,6-dimethylbenzyl)-1,6-dimethyl-11-oxo-11H-dibenzo<1,4>dioxepin-7-carboxylic acid

Conditions

Conditions	Yield
With toluene-4-sulfonic acid In 1,4-dioxane for 7h; Heating;	96%

: 186581-53-3, 908094-01-9
diazomethane

: 4707-47-5
2,4-dihydroxy-3,6-dimethyl-benzoic acid methyl ester

: 19104-04-2
methyl 2-hydroxy-4-methoxy-3,6-dimethylbenzoate

Conditions

Conditions	Yield
In diethyl ether; acetone for 18h; Ambient temperature;	95%

: 24424-99-5
di-tert-butyl dicarbonate

: 4707-47-5
2,4-dihydroxy-3,6-dimethyl-benzoic acid methyl ester

: 908292-00-2
4-O-(t-butoxycarbonyl)-2-hydroxy-3,6-dimethyl methylbenzoate

Conditions

Conditions	Yield
With dmap; N-ethyl-N,N-diisopropylamine In dichloromethane for 4h;	93%

: 100-97-0
hexamethylenetetramine

: 4707-47-5
2,4-dihydroxy-3,6-dimethyl-benzoic acid methyl ester

: 34874-76-5
formyl-3-dihydroxy-4,6-dimethyl-2,5-benzoate de methyle

Conditions

Conditions	Yield
With trifluoroacetic acid Formylation; Duff formylation;	90%
Stage #1: hexamethylenetetramine; 2,4-dihydroxy-3,6-dimethyl-benzoic acid methyl ester With trifluoroacetic acid at 0℃; for 2.5h; Inert atmosphere; Reflux; Stage #2: With water for 2.5h; Inert atmosphere; Reflux;	76%
With water; trifluoroacetic acid 1.) reflux, 14 h; 2.) 65 deg C, 8 h; Yield given. Multistep reaction;
With water; trifluoroacetic acid 1.) reflux, 12 h; 2.) 60 deg C, 6 h; Yield given. Multistep reaction;
With trifluoroacetic acid for 20h; Inert atmosphere; Reflux;

: 4707-47-5
2,4-dihydroxy-3,6-dimethyl-benzoic acid methyl ester

: 107-30-2
chloromethyl methyl ether

: methyl 2,4-bis(methoxymethoxy)-3,6-dimethylbenzoate

Conditions

Conditions	Yield
Stage #1: 2,4-dihydroxy-3,6-dimethyl-benzoic acid methyl ester With sodium hydride In tetrahydrofuran at 0℃; Inert atmosphere; Schlenk technique; Stage #2: chloromethyl methyl ether In tetrahydrofuran at 0 - 20℃; for 5h; Inert atmosphere; Schlenk technique;	90%
Stage #1: 2,4-dihydroxy-3,6-dimethyl-benzoic acid methyl ester With sodium hydride In tetrahydrofuran at 0℃; for 0.333333h; Inert atmosphere; Stage #2: chloromethyl methyl ether In tetrahydrofuran; toluene at 25℃; for 3h; Inert atmosphere;	87%

: 4707-47-5
2,4-dihydroxy-3,6-dimethyl-benzoic acid methyl ester

: 106-96-7
propargyl bromide

: methyl 2-hydroxy-3,6-dimethyl-4-(prop-2-yn-1-yloxy) benzoate

Conditions

Conditions	Yield
With potassium carbonate In acetone at 60℃; for 12h;	90%
With potassium carbonate In acetone Reflux;	75%

: 4707-47-5
2,4-dihydroxy-3,6-dimethyl-benzoic acid methyl ester

: 69739-34-0
t-butyldimethylsiyl triflate

: C22H40O4Si2

Conditions

Conditions	Yield
With 2,6-dimethylpyridine In dichloromethane at 0 - 20℃; Inert atmosphere;	90%

: 4707-47-5
2,4-dihydroxy-3,6-dimethyl-benzoic acid methyl ester

: 56410-32-3
2-hydroxy-4-benzyloxy-3,6-dimethylbenzoic acid

: 111258-35-6
methyl 4-(4-benzyloxy-2-hydroxy-3,6-dimethylbenzoyloxy)-2-hydroxy-3,6-dimethylbenzoate

Conditions

Conditions	Yield
With trifluoroacetic anhydride In toluene Ambient temperature;	84%
With trifluoroacetic anhydride In toluene at 20℃; Esterification;	63%

: 4707-47-5
2,4-dihydroxy-3,6-dimethyl-benzoic acid methyl ester

: 261174-54-3
2-methoxy-4-(4-methoxybenzyloxy)-3,6-dimethylbenzoic acid

: C28H30O8

Conditions

Conditions	Yield
With trifluoroacetic anhydride In toluene at 20℃; Esterification;	82%

: 591-87-7
Allyl acetate

: 4707-47-5
2,4-dihydroxy-3,6-dimethyl-benzoic acid methyl ester

: C13H16O4

Conditions

Conditions	Yield
With tetrakis(triphenylphosphine) palladium(0); potassium carbonate In toluene at 110℃; for 3h;	80%

: 4707-47-5
2,4-dihydroxy-3,6-dimethyl-benzoic acid methyl ester

: 479-26-5
2-hydroxy-4-methoxy-3,6-dimethylbenzoic acid

: 5014-22-2
methyl barbatate

Conditions

Conditions	Yield
With trifluoroacetic anhydride In toluene at 20℃; Esterification;	77%

: 4707-47-5
2,4-dihydroxy-3,6-dimethyl-benzoic acid methyl ester

: 125304-84-9
2-methoxy-4-benzyloxy-3,6-dimethylbenzoic acid

: 261174-77-0
C27H28O7

Conditions

Conditions	Yield
With trifluoroacetic anhydride In toluene at 20℃; Esterification;	74%

: 4707-47-5
2,4-dihydroxy-3,6-dimethyl-benzoic acid methyl ester

: 4707-46-4
2,4-dihydroxy-3,6-dimethylbenzoic acid

Conditions

Conditions	Yield
With boron tribromide In dichloromethane at -70 - 20℃; for 12h;	74%

: 4707-47-5
2,4-dihydroxy-3,6-dimethyl-benzoic acid methyl ester

: 106-93-4
ethylene dibromide

: methyl 4-(2-bromoethoxy)-2-hydroxy-3,6-dimethylbenzoate

Conditions

Conditions	Yield
With potassium carbonate In acetone Reflux;	73%

: 4707-47-5
2,4-dihydroxy-3,6-dimethyl-benzoic acid methyl ester

: 56410-34-5
2,4-O-dimethyl-β-orcinolcarboxylic acid

: 81050-84-2
4-(2,4-dimethoxy-3,6-dimethyl-benzoyloxy)-2-hydroxy-3,6-dimethyl-benzoic acid methyl ester

Conditions

Conditions	Yield
With trifluoroacetic anhydride In toluene at 20℃; Esterification;	69%
With sodium hydroxide; thionyl chloride; acetone

: 4707-47-5
2,4-dihydroxy-3,6-dimethyl-benzoic acid methyl ester

: 261174-53-2
2-hydroxy-4-(4-methoxybenzyloxy)-3,6-dimethylbenzoic acid

: C27H28O8

Conditions

Conditions	Yield
With trifluoroacetic anhydride In toluene at 20℃; Esterification;	69%

: 4707-47-5
2,4-dihydroxy-3,6-dimethyl-benzoic acid methyl ester

: 108-24-7
acetic anhydride

: 57369-96-7
4-(methoxycarbonyl)-2,5-dimethyl-1,3-phenylene diacetate

Conditions

Conditions	Yield
With pyridine at 20℃; for 12h;	68%
With pyridine

: 4707-47-5
2,4-dihydroxy-3,6-dimethyl-benzoic acid methyl ester

: 106-95-6
allyl bromide

: methyl 4-(allyloxy)-2-hydroxy-3,6-dimethylbenzoate

Conditions

Conditions	Yield
With potassium carbonate In acetone Reflux;	53%

: 4707-47-5
2,4-dihydroxy-3,6-dimethyl-benzoic acid methyl ester

: 74-88-4
methyl iodide

: 19104-04-2
methyl 2-hydroxy-4-methoxy-3,6-dimethylbenzoate

Conditions

Conditions	Yield
With potassium carbonate In acetone Reflux;	50%

: 4707-47-5
2,4-dihydroxy-3,6-dimethyl-benzoic acid methyl ester

: 106-95-6
allyl bromide

: methyl 2,4-bis(allyloxy)-3,6-dimethylbenzoate

Conditions

Conditions	Yield
With potassium carbonate In acetone Reflux;	47%

Methyl 2,4-dihydroxy-3,6-dimethylbenzoate Specification

The Methyl 2,4-dihydroxy-3,6-dimethylbenzoate, with the CAS registry number 4707-47-5 and EINECS registry number 225-193-0, is also called 2,4-Dihydroxy-3,6-dimethyl-benzoic acid methyl ester. The molecular formula of the chemical is C₁₀H₁₂O₄. And the chemical belongs to the following product categories: Alphabetical Listings; Flavors and Fragrances; M-N.

The characteristics of this chemical are as followings: (1)ACD/LogP: 2.84; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.84; (4)ACD/LogD (pH 7.4): 2.81; (5)ACD/BCF (pH 5.5): 84.52; (6)ACD/BCF (pH 7.4): 79.68; (7)ACD/KOC (pH 5.5): 833.35; (8)ACD/KOC (pH 7.4): 785.6; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 44.76 Å²; (13)Index of Refraction: 1.57; (14)Molar Refractivity: 51.43 cm³; (15)Molar Volume: 156.7 cm³; (16)Polarizability: 20.39×10^-24cm³; (17)Surface Tension: 50.3 dyne/cm; (18)Density: 1.251 g/cm³; (19)Flash Point: 143.9 °C; (20)Enthalpy of Vaporization: 63.03 kJ/mol; (21)Boiling Point: 360.7 °C at 760 mmHg; (22)Vapour Pressure: 1.05E-05 mmHg at 25°C.

Preparation of Methyl 2,4-dihydroxy-3,6-dimethylbenzoate: This chemical can be prepared by 3-formyl-2,4-dihydroxy-6-methyl-benzoic acid methyl ester. The reaction will need reagent Zn(Hg) and HCl, and the menstruum methanol. The yield is about 16%.

Uses of Methyl 2,4-dihydroxy-3,6-dimethylbenzoate: It can react with 2,4-dimethoxy-3,6-dimethyl-benzoic acid to produce 4-(2,4-dimethoxy-3,6-dimethyl-benzoyloxy)-2-hydroxy-3,6-dimethyl-benzoic acid methyl ester. This reaction will need reagent (CF₃-CO)₂O, and the menstruum toluene. The temperature of the reaction is 20°C, and the yield is about 69%.

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(OC)c1c(cc(O)c(c1O)C)C
(2)InChI: InChI=1/C10H12O4/c1-5-4-7(11)6(2)9(12)8(5)10(13)14-3/h4,11-12H,1-3H3
(3)InChIKey: UUQHKWMIDYRWHH-UHFFFAOYAK

Product Name

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

Synthetic route

Methyl 2,4-dihydroxy-3,6-dimethylbenzoate Specification

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