3,5-Dimethoxyphenol (HCID 10383)

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 Struktureigenschaften

XLogP: 1,6
Polarare Oberfläche (TPSA): 38,7 Å²
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 · 3 Einträge

1531

1472

2848；2858

Collision Cross Section125.4 Å² [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

Physikochemische Eigenschaften

Schmelzpunkt: 40 · 40-43 °C (lit.)
Siedepunkt: 172 · 172-175 °C/17 mmHg (lit.)
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)
pka: 1 · pK1:9.345 (25°C)
Aggregatzustand: Liquid
Farbe: Clear colorless to orange-red to pale pink-brownish
Wasserlöslichkeit: Soluble in methanol, ethanol, benzene, water (slightly), and chloroform.
BRN: 1239156 · 1239156
InChI: 1S/C8H10O3/c1-10-7-3-6(9)4-8(5-7)11-2/h3-5,9H,1-2H3
InChIKey: XQDNFAMOIPNVES-UHFFFAOYSA-N
SMILES: COc1cc(O)cc(OC)c1
LogP: 1.64 · 1.640
CAS Datenbank: 500 · 500-99-2(CAS DataBase Reference)
NIST chemische Informationen: 3 · Phenol, 3,5-dimethoxy-(500-99-2)
EPA chemische Informationen: 3 · Phenol, 3,5-dimethoxy- (500-99-2)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

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.

Sicherheitsdaten

F: 10
wgk: 3
hs_code: 29095090
risk_code: 36/37/38
hazard_code: Xi
hazard_note: Irritant
safety_code: 26-36-37/39
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen

Verwenden3,5-Dimethoxyphenol is a phenol derivative as antinitrosating agent.

Vor- und nachgelagerte Produkte

Nachgelagerte Produkte

4-Hydroxy-2,6-dimethoxybenzaldehyde 1-(6-hydroxy-2,4-dimethoxy-3-methylphenyl)ethanone 4,6-Dimethoxysalicylaldehyd (S)-2,3-Dihydro-5-hydroxy-7-methoxy-2-phenyl-4-benzopyron 5,7-Dimethoxy-2-benzopyron 3,5-Dimethoxybenzylamine 3-(3,5-dimethoxyphenoxy)propanoic acid 2-(3-(3,5-Dimethoxyphenoxy)Propyl)Isoindoline-1,3-Dione 5,7-DIMETHOXY-2-METHYL-2-PHENYL-CHROMAN-4-ONE

Anbieter50 Anbieter

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

南通润丰石油化工有限公司66017690 19952660367 · [email protected]

广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]

温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]

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