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
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)
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.
N-Bromosuccinimide Price
- Product number
- 298735
- Product name
- Ethyl 2,4-dihydroxy-6-methylbenzoate
- Purity
- 98%
- Packaging
- 1g
- Price
- $136
- Updated
- 2023/01/07
- Product number
- C1316
- Product name
- Ethyl 2,4-Dihydroxy-6-methylbenzoate
- Purity
- >98.0%(T)
- Packaging
- 1g
- Price
- $58
- Updated
- 2024/03/01
- Product number
- C1316
- Product name
- Ethyl 2,4-Dihydroxy-6-methylbenzoate
- Purity
- >98.0%(T)
- Packaging
- 5g
- Price
- $168
- Updated
- 2024/03/01
- Product number
- 22709
- Product name
- Ethyl Orsellinate
- Purity
- ≥95%
- Packaging
- 500mg
- Price
- $67
- Updated
- 2024/03/01
- Product number
- 22709
- Product name
- Ethyl Orsellinate
- Purity
- ≥95%
- Packaging
- 1g
- Price
- $100
- Updated
- 2024/03/01
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
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View Lastest Price from Ethyl 2,4-dihydroxy-6-methylbenzoate manufacturers
- 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
- Product
- Ethyl orsellinate 2524-37-0
- Price
- US $0.00/kg
- Min. Order
- 25kg
- Purity
- 99%
- Supply Ability
- Inquiry
- Release date
- 2023-06-06
- 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