1,3-Dimethoxy-2-propanol

HCID 12190CAS 623-69-8

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Grundinformationen

Standard-SMILES: COCC(O)COC
InChIKey: ZESKRVSPQJVIMH-UHFFFAOYSA-N
Summenformel: C5H12O3
Durchschnittliche Molmasse: 120,15 g/mol
Monoisotopische Masse: 120,07864424

Namen und Bezeichner

Bevorzugter Name: 1,3-Dimethoxy-2-propanol
IUPAC: 1,3-dimethoxypropan-2-ol
Englischer Name: 1,3-Dimethoxy-2-propanol
Summenformel: C5H12O3
Molmasse: 120.15

Namen und Synonyme

1,3-DIMETHOXY-2-PROPANOLRefChem:414506801-583-11,3-dimethoxypropan-2-ol623-69-82-Propanol, 1,3-dimethoxy-Glycerin 1,3-dimethyl etherGlycerol 1,3-dimethyl etherMFCD01076303A0JF0DT9XKNSC263483NSC-263483

Weitere Namen anzeigen

1,3-DiMethoxy-2-prop3-Dimethoxy-2-propanolglycerin dimethyl ether1,3-dimethoxy-2-propano2-Propanol,1,3-dimethoxy-glycerol,1,3-dimethyletherGlycerol α,γ-dimethyl etherGlyceryl-1,3-dimethyl ether

1,3-dimethoxy-propan-2-olglycerol-1,3-dimethyl ether1,3-dimethoxy-2-hydroxypropaneUNII-A0JF0DT9XKAI3-03551BCP317202-Propanol,3-dimethoxy-A8628

Datenbank-Bezeichner

CAS: 623-69-8
PubChem CID: 12190
DTXSID: DTXSID30211364
UNII: A0JF0DT9XK
EC Number: 801-583-1
Nikkaji: J6.846B

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -0,7
Polarare Oberfläche (TPSA): 38,7 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 4
Schwere Atome: 8
Formalladung: 0
Komplexität: 40

Physikochemische Eigenschaften

Siedepunkt: 169 °C · 169°C (estimate)
Dichte: 1.0085 · 1.0085
Brechungsindex: 1.4192 · 1.4192
storage temp.: Sealed in dry,Room Temperature
pka: 13.68 · 13.68±0.20(Predicted)
Aggregatzustand: liquid
Farbe: Colourless
Kosmetik-Inhaltsstoffe Funktionen: HAIR CONDITIONING
CAS Datenbank: 623 · 623-69-8(CAS DataBase Reference)
NIST chemische Informationen: 2 · 2-Propanol, 1,3-dimethoxy-(623-69-8)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]；H336 (33.3%): May cause drowsiness or dizziness [Warning Specific target organ toxicity, single exposure; Narcotic effects]

P210, P233, P240, P241, P242, P243, P261, P271, P280, P303+P361+P353, P304+P340, P319, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 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

Hazard Classes and CategoriesFlam. Liq. 3 (100%)；STOT SE 3 (33.3%)

Sicherheitsdaten

ridadr: 1987
hs_code: 2909498090
risk_code: 10
safety_code: 16

Chemie und Industrie

Anwendungen

Verwenden1,3-Dimethoxy-2-propanol is a possbile antiknock additive for gasoline and diesel fuel. It is also used to prepare heteroarylcarbamoylbenzene derivatives as glucokinase activators.