Grundinformationen
- Standard-SMILES
CC1=CC=CC1- InChIKey
NFWSQSCIDYBUOU-UHFFFAOYSA-N- Summenformel
- C6H8
- Durchschnittliche Molmasse
- 80,13 g/mol
- Monoisotopische Masse
- 80,06260026
Überblick
Methylcyclopentadiene appears as a pale yellow liquid or crystalline solid. Less dense than water and insoluble in water. Hence floats on water. Vapors are heavier than air. Vapor can injure the eyes and respiratory tract and may cause headaches and dizziness. Vapor is anesthetic and may have other central nervous system effects. Vapor may also cause liver and kidney disorder. Ingestion of the liquid into the respiratory system, or from vomiting, may cause bronchopneumonia or pulmonary edema.
Namen und Bezeichner
- Bevorzugter Name
- 1-Methyl-1,3-cyclopentadiene
- IUPAC
- 1-methylcyclopenta-1,3-diene
- Englischer Name
- 1-methylcyclopenta-1,3-diene
- Summenformel
- C6H8
- Molmasse
- 80.13
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
26519-91-5、96-39-9- PubChem CID
- 66775
- DTXSID
DTXSID101027739- UNII
- K4O53GR393
- EC Number
- 247-757-5
- Nikkaji
- J23.455I
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,8
- Polarare Oberfläche (TPSA)
- 0 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 0
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 6
- Formalladung
- 0
- Komplexität
- 96,6
Experimentelle und physikochemische Eigenschaften
Physical Description
Methylcyclopentadiene appears as a pale yellow liquid or crystalline solid. Less dense than water and insoluble in water. Hence floats on water. Vapors are heavier than air. Vapor can injure the eyes and respiratory tract and may cause headaches and dizziness. Vapor is anesthetic and may have other central nervous system effects. Vapor may also cause liver and kidney disorder. Ingestion of the liquid into the respiratory system, or from vomiting, may cause bronchopneumonia or pulmonary edema.
Liquid
Pale yellow liquid or solid; [CAMEO]
Physikochemische Eigenschaften
- Schmelzpunkt
- 66 · 66-66.5 °C
- Siedepunkt
- 73.5 · 73.5-74 °C(Press: 749 Torr)
- Dichte
- 0.8053 g/cm3 · 0.8053 g/cm3
- InChI
- InChI=1S/C6H8/c1-6-4-2-3-5-6/h2-4H,5H2,1H3
- InChIKey
- NFWSQSCIDYBUOU-UHFFFAOYSA-N
- SMILES
- C1(C)CC=CC=1
Sicherheit und Regulatorisches
Gefahrenhinweise
Regulatory Information
Chemical: 1,3-Cyclopentadiene, methyl-
1,3-Cyclopentadiene, methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,3-Cyclopentadiene, methyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
1,3-Cyclopentadiene, methyl-: 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.
Hazards Summary
Highly flammable; Vapor may cause eye and respiratory tract injury; Inhalation may have anesthetic and other CNS effects; May cause liver and kidney injury; An aspiration hazard by ingestion (may cause respiratory tract damage); [CAMEO] See Cyclopentadiene.
Sicherheit und Schutzausrüstung
Toxikologische Informationen
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
1,3-Cyclopentadiene, methyl-: ACTIVE
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