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Basic information
- CAS
884-35-5- Standard SMILES
COC(=O)c1cc(OC)c(O)c(OC)c1- InChIKey
ZMXJAEGJWHJMGX-UHFFFAOYSA-N- Molecular formula
- C10H12O5
- Average molar mass
- 212.2 g/mol
- Monoisotopic mass
- 212.06847348
Names & identifiers
- Preferred name
- Methyl Syringate
- IUPAC
- methyl 4-hydroxy-3,5-dimethoxybenzoate
- English name
- Methyl syringate
- Molecular formula
- C10H12O5
- Molecular weight
- 212.2
Names & synonyms
Methyl syringate884-35-5Methyl 4-hydroxy-3,5-dimethoxybenzoateBenzoic acid, 4-hydroxy-3,5-dimethoxy-, methyl estermethyl 4-hydroxy-3,5-dimethoxy-benzoateW5A196MP8ACHEBI:45820DTXSID00237016NSC-16946RefChem:158027DTXCID00159507429-050-5
Show more names
Methyl eugenateMethyl siringatemethyl syringoateRARECHEM AL BF 0102Methyl syringate 98%Methyl syringate, 98+%Syringic acid monomethyl esterMethyl syringate, 10 mM in DMSOMethyl syringate ISO 9001：2015 REACH
618-163-7Methyl 3,5-dimethoxy-4-hydroxybenzoateSyringic acid methyl esterMFCD00017199SBB016976AI3-36426bmse010225NOVOPRIME F 258
Database identifiers
- CAS
884-35-5- PubChem CID
- 70164
- DTXSID
DTXSID00237016- ChEMBL
CHEMBL1651039- ChEBI
CHEBI:45820- UNII
- W5A196MP8A
- EC Number
- 429-050-5、618-163-7
- Nikkaji
- J356.639K
Properties
Computed structural propertiesFilling in
- XLogP
- 1.4
- Topological polar surface area
- 65 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 204
Experimental & physicochemical properties
Kovats Retention Index
1725；1707.4
1744；1744；1744；1780
2957；2957；2933
Physicochemical properties
- Melting point
- 103 · 103-107 °C
- Boiling point
- 312.03 °C · 312.03°C (rough estimate)
- Density
- 1.3006 · 1.3006 (rough estimate)
- refractive index
- 1.514 · 1.5140 (estimate)
- storage temp.
- Inert atmosphere,Room Temperature
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 8.38 · 8.38±0.23(Predicted)
- color
- White
- Water Solubility
- Soluble in alcohol, ether, slightly soluble in water.
- λmax
- 278 nm · 278nm(MeOH)(lit.)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)
Aggregated GHS information provided per 42 reports by companies from 2 notifications to the ECHA C&L Inventory.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
This chemical does not meet GHS hazard criteria for 50% (2 of 4) of reports.
Hazard information
Regulatory Information
Status: Active Update: 30-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/25976；Status: Active Update: 10-11-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/9303
Benzoic acid, 4-hydroxy-3,5-dimethoxy-, methyl ester: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories
Eye Irrit. 2 (100%)
Skin Irrit. 2 (25%)；Eye Irrit. 2 (50%)
Regulatory information
Regulatory Information
Status: Active Update: 30-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/25976；Status: Active Update: 10-11-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/9303
Benzoic acid, 4-hydroxy-3,5-dimethoxy-, methyl ester: Does not have an individual approval but may be used under an appropriate group standard
Chemistry & industry
Applications
UsesMethyl Syringate is used in studies of volatile compound and sensorial characterization of red wine aged in cherry, chestnut, false acacia, ash and oak wood barrels
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
上海泰矶林实业有限公司02150630626 17717886015 · [email protected]
上海遐瑞医药科技有限公司
Related reactions
22 records
Compound notes
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