Basic information
- CAS
520-43-4- Standard SMILES
COC(=O)c1c(C)cc(OC)cc1O- InChIKey
PFVPJOAAHSOENR-UHFFFAOYSA-N- Molecular formula
- C10H12O4
- Average molar mass
- 196.2 g/mol
- Monoisotopic mass
- 196.07355886
Names & identifiers
- Preferred name
- Sparassol
- IUPAC
- methyl 2-hydroxy-4-methoxy-6-methylbenzoate
- English name
- Everninate methyl
- Molecular formula
- C10H12O4
- Molecular weight
- 196.2
Names & synonyms
SparassolMethyl everninateMethyl 2-hydroxy-4-methoxy-6-methylbenzoateSparassol [MI]UNII-49LGW9K0EH49LGW9K0EHMethyl 4-methoxy-6-methylsalicylate2-Hydroxy-4-methoxy-6-methylbenzoic acid methyl esterRefChem:184528Methyl 2-hydroxy-4-methoxy-6-methylbenzoic acidPFVPJOAAHSOENR-UHFFFAOYSA-N520-43-4
Show more names
Methoxyprotene impurity 3Methoxyprene impurities 34-Methoxy-2,6-cresotic acid methylOrsellinic acid methyl ester 4-methyl ether2-Methyl-4-methoxy-6-hydroxybenzoic acid methyl ester
Everninate methylBenzoic acid, 2-hydroxy-4-methoxy-6-methyl-, methyl ester2-Hydroxy-4-methoxy-6-methyl-benzoic acid methyl esterSpectrum2_000404Spectrum3_000264Spectrum4_000951Spectrum5_001794METHYL EVERNINIC ACID
Database identifiers
- CAS
520-43-4- PubChem CID
- 596344
- DTXSID
DTXSID901028412- ChEMBL
CHEMBL1595401- ChEBI
CHEBI:92544- UNII
- 49LGW9K0EH
- Nikkaji
- J6.602H
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 204
Experimental & physicochemical properties
Kovats Retention Index
1550；1546
1580
Physicochemical properties
- Melting point
- 67 · 67-68°; mp 170°
- Boiling point
- 302.6 · 302.6±37.0 °C(Predicted)
- Density
- 1.181 · 1.181±0.06 g/cm3(Predicted)
- solubility
- Slightly soluble in cold water and cold alcohol, soluble in hot water and hot alcohol, freely soluble in oils.
- pka
- 9.49 · 9.49±0.15(Predicted)
- Odor
- Sweet, somewhat earthy-musty odor of excellent tenacity.
- FDA UNII
- 49 LGW9K0EH · 49LGW9K0EH
Chemistry & industry
Applications
UsesMethyl everninate is the major constituent of the deuterochloroform. Methyl everninate, rhodomollosides A and B are the derivatives of Methyl everninate, with cytotoxicity against RAW264.7 cells. Both of they shows inhibitory effects with a lipopolysaccharide (LPS)-stimulated murine macrophages RAW 264.7 cells model[1][2].
Suppliers8 total
云南苏理生物医药科技有限公司0871-68355600 18787766125
深圳摩科生化科技有限公司18627923403 · [email protected]
深圳市创鑫生物科技有限公司13417589054 · [email protected]
Shaanxi Didu New Materials Co. Ltd+86-86-17392712779 +86-13289823923 · [email protected]
深圳市创鑫生物科技有限公司13417589054 · [email protected]
湖北摩科化学有限公司18627753421; 18627756402 · [email protected]
郑州艾克姆化工有限公司13303867194 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Additional notes
DefinitionChEBI: 2-hydroxy-4-methoxy-6-methylbenzoic acid methyl ester is a methoxybenzoic acid.
Related reactions
1 records
Compound notes
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