Ethyl syringate
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Basic information
- CAS
3943-80-4- Standard SMILES
CCOC(=O)c1cc(OC)c(O)c(OC)c1- InChIKey
WKUVKFZZCHINKG-UHFFFAOYSA-N- Molecular formula
- C11H14O5
- Average molar mass
- 226.23 g/mol
- Monoisotopic mass
- 226.08412355
Names & identifiers
- Preferred name
- Ethyl syringate
- IUPAC
- ethyl 4-hydroxy-3,5-dimethoxybenzoate
- English name
- ethyl 4-hydroxy-3,5-dimethoxy-benzoate
- Molecular formula
- C11H14O5
- Molecular weight
- 226.23
Names & synonyms
3943-80-4Ethyl syringateBENZOIC ACID, 3,5-DIMETHOXY-4-HYDROXY-, ETHYL ESTERDTXSID40192599RefChem:1085104DTXCID30115090ethyl 4-hydroxy-3,5-dimethoxybenzoateethyl 4-hydroxy-3,5-dimethoxy-benzoateMFCD016612033,5-Dimethoxy-4-hydroxybenzoic acid ethyl esterEthyl4-hydroxy-3,5-dimethoxybenzoateBRN 2113673
Show more names
ETHYL SYRINGATE(P)4-hydroxy-3,5-dimethoxybenzoate
Ester etylowy kwasu syringowego [Polish]Ester etylowy kwasu syringowegoEthyl syringoateBenzoic acid, 4-hydroxy-3,5-dimethoxy-, ethyl esterethyl 3,5-dimethoxy-4-hydroxybenzoatesyringic acid ethyl esterSCHEMBL582920DAA94380
Database identifiers
- CAS
3943-80-4- PubChem CID
- 19845
- DTXSID
DTXSID40192599- Nikkaji
- J1.049.516D
Properties
Computed structural propertiesFilling in
- XLogP
- 1.7
- Topological polar surface area
- 65 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 216
Physicochemical properties
- Melting point
- 93 ℃ · 93℃
- storage temp.
- 2 · 2-8°C
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Suppliers
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Related reactions
2 records
Compound notes
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