1-Methyl-1,3-cyclopentadiene

HCID 66775CAS 26519-91-5

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

1,3-Cyclopentadiene, 1-methyl-96-39-91-Methyl-1,3-cyclopentadiene1-MethylcyclopentadieneK4O53GR393DTXSID101027739NSC-157581RefChem:1055720DTXCID1037515Methylcyclopentadiene1-methylcyclopenta-1,3-dieneMethylcyclopenta-1,3-diene
Weitere Namen anzeigen
26519-91-51,3-Cyclopentadiene, methyl-MonomethylcyclopentadieneNSC 157581methyl cyclopentadieneEINECS 247-757-5Cyclopentadiene, methyl-SCHEMBL135427

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

Experimentelle und physikochemische Eigenschaften

Chemical ClassesOther Classes -> Aliphatics, Unsaturated
SpringerMaterials PropertiesDensity
Physical Description · 3 Einträge

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 · 3 Einträge

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.

DOT LabelFlammable Liquid
Fire HazardsExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
Health HazardsExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
Hazards Summary · 1 Eintrag

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.

Reactive GroupHydrocarbons, Aliphatic Unsaturated

Sicherheit und Schutzausrüstung

Fire FightingExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
First AidExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
Nonfire Spill ResponseExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
Isolation and EvacuationExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
Personal Protective Equipment (PPE)Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:

Toxikologische Informationen

Adverse EffectsNeurotoxin - Acute solvent syndrome

Chemie und Industrie

Verwendung und Herstellung

U.S. Production2023: 1,000,000 - <5,000,000 lb
Industry UsesIntermediate
General Manufacturing Information · 2 Einträge

All Other Basic Organic Chemical Manufacturing

1,3-Cyclopentadiene, methyl-: ACTIVE

Zugehörige Reaktionen

18

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