Basic information
- CAS
6110-36-7- Standard SMILES
CCOC(=O)c1c(C)cc(OC)cc1O- InChIKey
PJOOIAZRUIIQMU-UHFFFAOYSA-N- Molecular formula
- C11H14O4
- Average molar mass
- 210.23 g/mol
- Monoisotopic mass
- 210.08920892
Overview
2-hydroxy-4-methoxy-6-methylbenzoic acid ethyl ester is a methoxybenzoic acid.
Names & identifiers
- Preferred name
- Benzoic acid, 2-hydroxy-4-methoxy-6-methyl-, ethyl ester
- IUPAC
- ethyl 2-hydroxy-4-methoxy-6-methylbenzoate
- English name
- ethyl 4-methoxy-6-methylsalicylate
- Molecular formula
- C11H14O4
- Molecular weight
- 210.23
Names & synonyms
ETHYL EVERNINATE6110-36-7Benzoic acid, 2-hydroxy-4-methoxy-6-methyl-, ethyl esterEINECS 228-073-6DTXSID1064116RefChem:565637DTXCID9042968Ethyl 2-hydroxy-4-methoxy-6-methylbenzoateEthyl 4-methoxy-6-methylsalicylateKBio3_001212Spectrum2_000684Spectrum3_000266
Show more names
2-hydroxy-4-methoxy-6-methyl-benzoic acid ethyl ester
Spectrum4_000952Spectrum5_001834BSPBio_001712KBioGR_001564SPECTRUM211009SPBio_0008072-Hydroxy-4-methoxy-6-methylbenzoic acid ethyl esterorb1942329
Database identifiers
- CAS
6110-36-7- PubChem CID
- 80201
- DTXSID
DTXSID1064116- ChEMBL
CHEMBL1318588- ChEBI
CHEBI:108584- EC Number
- 228-073-6
- Nikkaji
- J227.301B
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 217
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Melting point
- 87 °C · 87 °C
- Boiling point
- 317.3 · 317.3±37.0 °C(Predicted)
- Density
- 1.151 · 1.151±0.06 g/cm3(Predicted)
- pka
- 9.66 · 9.66±0.15(Predicted)
- InChI
- InChI=1S/C11H14O4/c1-4-15-11(13)10-7(2)5-8(14-3)6-9(10)12/h5-6,12H,4H2,1-3H3
- InChIKey
- PJOOIAZRUIIQMU-UHFFFAOYSA-N
- SMILES
- C(OCC)(=O)C1=C(C)C=C(OC)C=C1O
- EPA Substance Registry System
- 2 · Benzoic acid, 2-hydroxy-4-methoxy-6-methyl-, ethyl ester (6110-36-7)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationChemical: Benzoic acid, 2-hydroxy-4-methoxy-6-methyl-, ethyl ester
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzoic acid, 2-hydroxy-4-methoxy-6-methyl-, ethyl ester: INACTIVE
Applications
UsesEthyl everninate is an atranol-like secondary metabolite that can be isolated from oakmoss[1].
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers5 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
VladaChem GmbH+49-7246-3082843 +86-18411632868 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
上海科醚化学科技有限公司021-58690851 15690882017 · [email protected]
Additional notes
Related reactions
2 records
Compound notes
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