Methyl Syringate
Grundinformationen
- CAS
884-35-5- Standard-SMILES
COC(=O)c1cc(OC)c(O)c(OC)c1- InChIKey
ZMXJAEGJWHJMGX-UHFFFAOYSA-N- Summenformel
- C10H12O5
- Durchschnittliche Molmasse
- 212,2 g/mol
- Monoisotopische Masse
- 212,06847348
Namen und Bezeichner
- Bevorzugter Name
- Methyl Syringate
- IUPAC
- methyl 4-hydroxy-3,5-dimethoxybenzoate
- Englischer Name
- Methyl syringate
- Summenformel
- C10H12O5
- Molmasse
- 212.2
Namen und Synonyme
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
Weitere Namen anzeigen
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
Datenbank-Bezeichner
- 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
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,4
- Polarare Oberfläche (TPSA)
- 65 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 15
- Formalladung
- 0
- Komplexität
- 204
Experimentelle und physikochemische Eigenschaften
Kovats Retention Index
1725；1707.4
1744；1744；1744；1780
2957；2957；2933
Physikochemische Eigenschaften
- Schmelzpunkt
- 103 · 103-107 °C
- Siedepunkt
- 312.03 °C · 312.03°C (rough estimate)
- Dichte
- 1.3006 · 1.3006 (rough estimate)
- Brechungsindex
- 1.514 · 1.5140 (estimate)
- storage temp.
- Inert atmosphere,Room Temperature
- Löslichkeit
- Chloroform (Slightly), Methanol (Slightly)
- Aggregatzustand
- Solid
- pka
- 8.38 · 8.38±0.23(Predicted)
- Farbe
- White
- Wasserlöslichkeit
- Soluble in alcohol, ether, slightly soluble in water.
- BRN
- 2217524 · 2217524
- LogP
- 1.1 · 1.100 (est)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
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.
Gefahrenhinweise
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%)
Regulatorische Informationen
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
Chemie und Industrie
Anwendungen
VerwendenMethyl 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
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