ChemicalBook > CAS DataBase List > Ethyl 2,4-dihydroxy-6-methylbenzoate

Ethyl 2,4-dihydroxy-6-methylbenzoate

Product Name
Ethyl 2,4-dihydroxy-6-methylbenzoate
CAS No.
2524-37-0
Chemical Name
Ethyl 2,4-dihydroxy-6-methylbenzoate
Synonyms
Ethyl orsellinate;ORSELLINIC ACID, ETHYL ESTER;4-CARBETHOXY-5-METHYLRESORCINOL;2-CARBETHOXY-3,5-DIHYDROXYTOLUENE;4-ETHOXYCARBONYL-5-METHYLRESORCINOL;ETHYL 2,4-DIHYDROXY-6-METHYLBENZOATE;2-ETHOXYCARBONYL-3,5-DIHYDROXYTOLUENE;Ethyl 2,4-Dihydroxy-6-methylbenzoate >ETHYL 2,4-DIHYDROXY-6-METHYLBENZOATE, 98 %;2,4-dihydroxy-6-methyl-benzoicaciethylester
CBNumber
CB1400139
Molecular Formula
C10H12O4
Formula Weight
196.2
MOL File
2524-37-0.mol
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Ethyl 2,4-dihydroxy-6-methylbenzoate Property

Melting point:
129-132 °C(lit.)
Boiling point:
293.08°C (rough estimate)
Density 
1.2166 (rough estimate)
refractive index 
1.5430 (estimate)
storage temp. 
Sealed in dry,Room Temperature
solubility 
Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
form 
powder to crystal
pka
8.27±0.23(Predicted)
color 
White to Gray to Brown
InChI
InChI=1S/C10H12O4/c1-3-14-10(13)9-6(2)4-7(11)5-8(9)12/h4-5,11-12H,3H2,1-2H3
InChIKey
UQSRXQMIXSZGLA-UHFFFAOYSA-N
SMILES
C(OCC)(=O)C1=C(C)C=C(O)C=C1O
LogP
2.910 (est)
CAS DataBase Reference
2524-37-0(CAS DataBase Reference)
EPA Substance Registry System
Benzoic acid, 2,4-dihydroxy-6-methyl-, ethyl ester (2524-37-0)
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Safety

Hazard Codes 
Xi
Risk Statements 
36/37/38
Safety Statements 
26-37/39
WGK Germany 
3
HS Code 
2916399090
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Warning
Hazard statements

H315Causes skin irritation

H319Causes serious eye irritation

H335May cause respiratory irritation

Precautionary statements

P261Avoid breathing dust/fume/gas/mist/vapours/spray.

P264Wash hands thoroughly after handling.

P264Wash skin thouroughly after handling.

P271Use only outdoors or in a well-ventilated area.

P280Wear protective gloves/protective clothing/eye protection/face protection.

P302+P352IF ON SKIN: wash with plenty of soap and water.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

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N-Bromosuccinimide Price

Sigma-Aldrich
Product number
298735
Product name
Ethyl 2,4-dihydroxy-6-methylbenzoate
Purity
98%
Packaging
1g
Price
$136
Updated
2023/01/07
TCI Chemical
Product number
C1316
Product name
Ethyl 2,4-Dihydroxy-6-methylbenzoate
Purity
>98.0%(T)
Packaging
1g
Price
$58
Updated
2024/03/01
TCI Chemical
Product number
C1316
Product name
Ethyl 2,4-Dihydroxy-6-methylbenzoate
Purity
>98.0%(T)
Packaging
5g
Price
$168
Updated
2024/03/01
Cayman Chemical
Product number
22709
Product name
Ethyl Orsellinate
Purity
≥95%
Packaging
500mg
Price
$67
Updated
2024/03/01
Cayman Chemical
Product number
22709
Product name
Ethyl Orsellinate
Purity
≥95%
Packaging
1g
Price
$100
Updated
2024/03/01
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Ethyl 2,4-dihydroxy-6-methylbenzoate Chemical Properties,Usage,Production

Definition

ChEBI: 2,4-dihydroxy-6-methylbenzoic acid ethyl ester is a 4-hydroxybenzoate ester.

General Description

Ethyl 2,4-dihydroxy-6-methylbenzoate is also referred as ethyl orsellinate. It was isolated from chloroform extract of Peltigera aphthosa. It is one of the product formed during alcoholyses of lecanoric acid.

Synthesis

The stem bark of Illicium difengpi (5.0?kg) was powdered and extracted three times with aqueous ethanol (ethanol/water 8:2) under reflux. The solvent was then evaporated under reduced pressure to obtain a dry residue (150?g). The residue was suspended in water (2?L) and extracted successively with petroleum ether (3 × 2?L), EtOAc (3 × 2?L) and BuOH (3 × 2?L), affording 5?g, 70?g, and 40?g, respectively, of each dried fraction. The EtOAc fraction was subjected to silica gel column chromatography using gradient elution (CH2Cl2/CH3OH, 200:1 to 2:1, v/v) to give four main fractions, of which was purified by successive silica gel column chromatography (CH2Cl2/CH3OH, 100:1→20:1); 2,4-dihy-droxy-6-methyl-benzoic acid ethyl ester (Ethyl 2,4-dihydroxy-6-methylbenzoate) was obtained from the fraction eluted by CH2Cl2/CH3OH (40:1)[1].

Structure and conformation

The mol-ecular structure of Ethyl 2,4-dihydroxy-6-methylbenzoate contains a methyl group, two hydroxyl groups, and a carboeth-oxy group, which are attached to C2, C4, C6 and C7 of the central benzene ring, respectively. An intra-molecular O3—H3···O1 hydrogen bond stabilizes the mol-ecular conformation. In the crystal, O4—H4···O3i and C3—H3A···O4ii hydrogen bonds link the mol-ecules into double strands parallel to the direction. In the solid state, the compound also forms offset slanted stacks of alternating inversion-related mol-ecules along the a-axis direction[1].

References

[1] Xiong, Huiping , et al. "Crystal structure of the ethyl 2,4-dihydroxy-6-methylbenzoate from Illicium difengpi K.I.B et K.I.M. " IUCrData 12(2018).

Ethyl 2,4-dihydroxy-6-methylbenzoate Preparation Products And Raw materials

Raw materials

Preparation Products

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Ethyl 2,4-dihydroxy-6-methylbenzoate Suppliers

TCI Chemicals (India) Pvt. Ltd.
Tel
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sales-in@tcichemicals.com
Country
India
ProdList
6768
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Ralington Pharma.
Tel
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Email
info@ralingtonpharma.com
Country
India
ProdList
311
Advantage
58
CHEMSWORTH
Tel
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Fax
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Email
info@chemsworth.com
Country
India
ProdList
6700
Advantage
30
A.J Chemicals
Tel
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Fax
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Email
sales@ajchem.in
Country
India
ProdList
6100
Advantage
58
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View Lastest Price from Ethyl 2,4-dihydroxy-6-methylbenzoate manufacturers

Zhengzhou Anbu Chem Co.,Ltd
Product
2,4-DIHYDROXY-6-METHYLBENZOIC ACID ETHYL ESTER 2524-37-0
Price
US $0.00/KG
Min. Order
0.1KG
Purity
98%
Supply Ability
1000KGS
Release date
2023-10-26
PNP Biotech Co. Ltd
Product
Ethyl orsellinate 2524-37-0
Price
US $0.00/kg
Min. Order
25kg
Purity
99%
Supply Ability
Inquiry
Release date
2023-06-06
Xiamen Work-For-World Medicine Co.,Ltd.
Product
Ethyl 2,4-dihydroxy-6-methylbenzoate 2524-37-0
Price
US $1.00-1.00/kg
Min. Order
1kg
Purity
99%HPLC
Supply Ability
kg
Release date
2024-03-27

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