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
- Molecular Weight:
- 196.2
- MDL Number:
- MFCD00010821
- MOL File:
- 2524-37-0.mol
- MSDS File:
- SDS
| 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) |
| FDA UNII | 3035H4GP23 |
| EPA Substance Registry System | Benzoic acid, 2,4-dihydroxy-6-methyl-, ethyl ester (2524-37-0) |
SAFETY
Risk and Safety Statements
| Symbol(GHS) |  GHS07 |
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|---|---|---|---|---|---|---|---|---|---|---|
| Signal word | Warning | |||||||||
| Hazard statements | H315-H319-H335 | |||||||||
| Precautionary statements | P261-P264-P271-P280-P302+P352-P305+P351+P338 | |||||||||
| Hazard Codes | Xi | |||||||||
| Risk Statements | 36/37/38 | |||||||||
| Safety Statements | 26-37/39 | |||||||||
| WGK Germany | 3 | |||||||||
| HS Code | 2916399090 | |||||||||
| NFPA 704 |
|
Ethyl 2,4-dihydroxy-6-methylbenzoate price More Price(22)
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| Sigma-Aldrich | 298735 | Ethyl 2,4-dihydroxy-6-methylbenzoate 98% | 2524-37-0 | 1g | $136 | 2023-01-07 | Buy |
| TCI Chemical | C1316 | Ethyl 2,4-Dihydroxy-6-methylbenzoate >98.0%(T) | 2524-37-0 | 1g | $58 | 2024-03-01 | Buy |
| TCI Chemical | C1316 | Ethyl 2,4-Dihydroxy-6-methylbenzoate >98.0%(T) | 2524-37-0 | 5g | $168 | 2024-03-01 | Buy |
| Cayman Chemical | 22709 | Ethyl Orsellinate ≥95% | 2524-37-0 | 500mg | $67 | 2024-03-01 | Buy |
| Cayman Chemical | 22709 | Ethyl Orsellinate ≥95% | 2524-37-0 | 1g | $100 | 2024-03-01 | Buy |
Ethyl 2,4-dihydroxy-6-methylbenzoate Chemical Properties,Uses,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
| Supplier | Tel | Country | ProdList | Advantage | |
|---|---|---|---|---|---|
| Zhengzhou Anbu Chem Co.,Ltd | +86-0371-88006763; +8615988602810 | sales@anbuchem.com | China | 3000 | 58 |
| Xiamen Work-For-World Medicine Co.,Ltd. | +undefined15921822462 | keqingyong@wfwmed.com | China | 203 | 58 |
| career henan chemical co | +86-0371-86658258 | sales@coreychem.com | China | 29914 | 58 |
| Hubei Jusheng Technology Co.,Ltd. | 18871490254 | linda@hubeijusheng.com | CHINA | 28180 | 58 |
| Shaanxi Pioneer Biotech Co., Ltd . | +8613259417953 | sales@pioneerbiotech.com | China | 3000 | 58 |
| Hubei xin bonus chemical co. LTD | 86-13657291602 | linda@hubeijusheng.com | CHINA | 22968 | 58 |
| Chongqing Chemdad Co., Ltd | +86-023-61398051 +8613650506873 | sales@chemdad.com | China | 39916 | 58 |
| Alchem Pharmtech,Inc. | 8485655694 | sales@alchempharmtech.com | United States | 63711 | 58 |
| TargetMol Chemicals Inc. | +1-781-999-5354 +1-00000000000 | marketing@targetmol.com | United States | 19892 | 58 |
| Dayang Chem (Hangzhou) Co.,Ltd. | 571-88938639 +8617705817739 | info@dycnchem.com | CHINA | 52867 | 58 |
View Lastest Price from Ethyl 2,4-dihydroxy-6-methylbenzoate manufacturers
| Image | Update time | Product | Price | Min. Order | Purity | Supply Ability | Manufacturer | |
|---|---|---|---|---|---|---|---|---|
 |
2024-03-28 | Ethyl orsellinate
2524-37-0
|
US $0.00 / kg | 25kg | 99% | Inquiry | PNP Biotech Co. Ltd | |
 |
2024-03-27 | Ethyl 2,4-dihydroxy-6-methylbenzoate
2524-37-0
|
US $1.00-1.00 / kg | 1kg | 99%HPLC | kg | Xiamen Work-For-World Medicine Co.,Ltd. | |
 |
2023-10-26 | 2,4-DIHYDROXY-6-METHYLBENZOIC ACID ETHYL ESTER
2524-37-0
|
US $0.00 / KG | 0.1KG | 98% | 1000KGS | Zhengzhou Anbu Chem Co.,Ltd |
-
- Ethyl orsellinate
2524-37-0
- US $0.00 / kg
- 99%
- PNP Biotech Co. Ltd
-
- Ethyl 2,4-dihydroxy-6-methylbenzoate
2524-37-0
- US $1.00-1.00 / kg
- 99%HPLC
- Xiamen Work-For-World Medicine Co.,Ltd.
-
- 2,4-DIHYDROXY-6-METHYLBENZOIC ACID ETHYL ESTER
2524-37-0
- US $0.00 / KG
- 98%
- Zhengzhou Anbu Chem Co.,Ltd