Grundinformationen
- Standard-SMILES
C=C(C)OC- InChIKey
YOWQWFMSQCOSBA-UHFFFAOYSA-N- Summenformel
- C4H8O
- Durchschnittliche Molmasse
- 72,11 g/mol
- Monoisotopische Masse
- 72,05751487
Namen und Bezeichner
- Bevorzugter Name
- 2-Methoxypropene
- IUPAC
- 2-methoxyprop-1-ene
- Lokaler Name
- Isopropenyl-methylether
- Englischer Name
- 2-Methoxypropene
- Summenformel
- C4H8O
- Molmasse
- 72.11
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
116-11-0- PubChem CID
- 8300
- DTXSID
DTXSID3051591- UNII
- 15WBG0JT6B
- EC Number
- 204-125-3
- Nikkaji
- J27.121G
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,2
- Polarare Oberfläche (TPSA)
- 9,2 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 5
- Formalladung
- 0
- Komplexität
- 38
Experimentelle und physikochemische Eigenschaften
Physikochemische Eigenschaften
- Schmelzpunkt
- 25 °C · 25°C
- Siedepunkt
- 34 · 34-36 °C (lit.)
- Dichte
- 0.753 g/mL · 0.753 g/mL at 25 °C (lit.)
- Dampfdruck
- 27.96 psi · 27.96 psi ( 55 °C)
- Brechungsindex
- 20 · n20/D 1.382(lit.)
- Flammpunkt
- 21 °F · −21 °F
- storage temp.
- 2 · 2-8°C
- Löslichkeit
- Chloroform
- Aggregatzustand
- Liquid
- Farbe
- Clear colorless
- PH
- 7 · 7 (H2O)
- Wasserlöslichkeit
- negligible
- BRN
- 1734635 · 1734635
- InChI
- 1S/C4H8O/c1-4(2)5-3/h1H2,2-3H3
- InChIKey
- YOWQWFMSQCOSBA-UHFFFAOYSA-N
- SMILES
- COC(C)=C
- LogP
- 1.7 at · 1.7 at 21℃ and pH8.1-8.4
- CAS Datenbank
- 116 · 116-11-0(CAS DataBase Reference)
- NIST chemische Informationen
- 1 · 1-Propene, 2-methoxy-(116-11-0)
- EPA chemische Informationen
- 1 · 1-Propene, 2-methoxy- (116-11-0)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H224 (100%): Extremely flammable liquid and vapor [Danger Flammable liquids];H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral];H412 (22.1%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P210, P233, P240, P241, P242, P243, P264, P270, P273, P280, P301+P317, P303+P361+P353, P330, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 68 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 Information
Status: Active Update: 25-10-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/10997
1-Propene, 2-methoxy-: Does not have an individual approval but may be used under an appropriate group standard
Toxikologische Informationen
Regulatorische Informationen
Regulatory Information
Status: Active Update: 25-10-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/10997
1-Propene, 2-methoxy-: Does not have an individual approval but may be used under an appropriate group standard
Sicherheitsdaten
- F
- 8-10
- wgk
- 1
- tsca
- TSCA listed
- ridadr
- UN 1993 3/PG 1
- hs_code
- 29091990
- RTECS-Nr.
- UD0800000
- risk_code
- 12-19-22-11
- Toxizität
- rabbit,LD50,skin,> 20mL/kg (20mL/kg),American Industrial Hygiene Association Journal. Vol. 30, Pg. 470, 1969.
- hazard_code
- F+,Xn,F
- safety_code
- 3-16-29-33-7/9-9-18
- hazard_class
- 3
- packing_group
- I
- Speicherklasse
- 3 - Flammable liquids
- Giftige Stoffe Daten
- 116-11-0(Hazardous Substances Data)
- Hazard Classifications
- Acute Tox. 4 OralFlam. Liq. 1
- Selbstentzündungstemperatur
- 374 °F
Chemie und Industrie
Verwendung und Herstellung
Uses
Used as a laboratory reagent and an intermediate for 2-methoxyallyl bromide (an alkylating agent); [HSDB]
LABORATORY REAGENT (HYDROXYL-PROTECTING); CHEM INT FOR 2-METHOXYALLYL BROMIDE (AN ALKYLATING AGENT)
U.S. Exports
(1977) No Data
(1979) No Data
U.S. Imports
(1977) No Data
(1979) No Data
U.S. Production
(1977) NOT PRODUCED COMMERCIALLY IN US
(1979) NOT PRODUCED COMMERCIALLY IN US
Anwendungen
Verwenden2-Methoxypropene is used in the synthesis of Macrolactin A, a 24-member macrolide typically employed as an antibiotic. Also used in the synthesis of phenylalanine derivatives used as α4β1 and α4β7 receptor antagonists in the treatment of allergic asthma.
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