3,5-Dimethoxyphenol
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Grundinformationen
- CAS
500-99-2- Standard-SMILES
COc1cc(O)cc(OC)c1- InChIKey
XQDNFAMOIPNVES-UHFFFAOYSA-N- Summenformel
- C8H10O3
- Durchschnittliche Molmasse
- 154,16 g/mol
- Monoisotopische Masse
- 154,06299418
Namen und Bezeichner
- Bevorzugter Name
- 3,5-Dimethoxyphenol
- IUPAC
- 3,5-dimethoxyphenol
- Lokaler Name
- 3,5-Dimethoxyphenol
- Englischer Name
- 3,5-Dimethoxyphenol
- Summenformel
- C8H10O3
- Molmasse
- 154.16
Namen und Synonyme
3,5-Dimethoxyphenol500-99-2Phenol, 3,5-dimethoxy-TaxicatigeninPhloroglucinol dimethyl ether1-Hydroxy-3,5-dimethoxybenzene23UXW8136ANSC-70955DTXSID7075426phloroglucindimethyletherRefChem:4869021,3-dimethoxy-5-hydroxybenzene
Weitere Namen anzeigen
NSC 709553,5-Dimethoxyphenol>3,5-DiMethoxyphenol 99%3,5-Dimethoxyphenol,97%DIMETHOXYPHENOL, 3,5-(P)Phloroglucinol Impurity 24Phloroglucin dimethyl ether
DTXCID3040772207-917-73,5-dimethoxy phenolMFCD00008388UNII-23UXW8136APhenol,5-dimethoxy-3,5-dimethoxy-phenols6071
Datenbank-Bezeichner
- CAS
500-99-2- PubChem CID
- 10383
- DTXSID
DTXSID7075426- ChEMBL
CHEMBL462989- ChEBI
CHEBI:88715- UNII
- 23UXW8136A
- EC Number
- 207-917-7
- Nikkaji
- J107.380J
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 1,6
- Polarare Oberfläche (TPSA)
- 38,7 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 11
- Formalladung
- 0
- Komplexität
- 104
Experimentelle und physikochemische Eigenschaften
Kovats Retention Index
1531
1472
2848；2858
Collision Cross Section125.4 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
Physikochemische Eigenschaften
- Schmelzpunkt
- 45 °C · 45 °C
- Siedepunkt
- 160 °C/15 · 160 °C/15 mmHg
- Dichte
- 1.169 · 1.1690 (rough estimate)
- Brechungsindex
- 1.4745 · 1.4745 (estimate)
- Flammpunkt
- 173 °F · 173 °F
- storage temp.
- Inert atmosphere,Room Temperature
- Löslichkeit
- Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
- Aggregatzustand
- powder to crystal
- pka
- 1 · pK1:9.345 (25°C)
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (99.4%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 162 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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.
Gefahrenhinweise
Regulatory InformationPhenol, 3,5-dimethoxy-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (99.4%)
Regulatorische Informationen
Regulatory InformationPhenol, 3,5-dimethoxy-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Chemie und Industrie
Anwendungen
Verwenden3,5-Dimethoxyphenol is a phenol derivative as antinitrosating agent.
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