1-Methylcyclopenten

1-Methylcyclopentene

HCID 12746CAS 27476-50-2

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Grundinformationen

Standard-SMILES: CC1=CCCC1
InChIKey: ATQUFXWBVZUTKO-UHFFFAOYSA-N
Summenformel: C6H10
Durchschnittliche Molmasse: 82,14 g/mol
Monoisotopische Masse: 82,07825032

Überblick

1-methylcyclopentene has been reported in Cinnamomum camphora and Oryza sativa with data available.

Namen und Bezeichner

Bevorzugter Name: 1-Methylcyclopentene
IUPAC: 1-methylcyclopentene
Lokaler Name: 1-Methylcyclopenten
Englischer Name: 1-Methylcyclopentene
Summenformel: C6H10
Molmasse: 82.14

Namen und Synonyme

1-METHYLCYCLOPENTENE693-89-01-Methyl-1-cyclopenteneCyclopentene, 1-methyl-V03M1DZC9IEINECS 211-762-0NSC 64657NSC-64657RefChem:434590Cyclopentene, 1-methyl-(8CI)Cyclopentene, 1-methyl-(8CI)(9CI)211-762-0

Weitere Namen anzeigen

1-Methyl-1-cyclopentanecyclopentene,1-methyl-METHYL-CYCLOPENTENECyc1opentene,l-methyl-1-Cyclopentene, 1-methyl1-Methylcyclopentene,96%

InChI=1/C6H10/c1-6-4-2-3-5-6/h4H,2-3,5H2,1H1-methylcyclopent-1-eneCyclopentene, methyl-MethylcyclopenteneUNII-V03M1DZC9I27476-50-2MFCD000013971-methylcyclopentene-1

Datenbank-Bezeichner

CAS: 27476-50-2、693-89-0
PubChem CID: 12746
DTXSID: DTXSID50870755
UNII: V03M1DZC9I
EC Number: 211-762-0
Nikkaji: J22.894J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,8
Polarare Oberfläche (TPSA): 0 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 0
Frei drehbare Bindungen: 0
Schwere Atome: 6
Formalladung: 0
Komplexität: 70,1

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesBoiling point

Physikochemische Eigenschaften

Schmelzpunkt: -142 °C · -142°C
Siedepunkt: 75 · 75-77 °C(lit.)
Dichte: 0.78 g/mL · 0.78 g/mL at 25 °C(lit.)
Brechungsindex: 20 · n20/D 1.432
Flammpunkt: 1 °F · 1 °F
storage temp.: Flammables area
Aggregatzustand: Liquid
Farbe: Clear colorless
BRN: 1900640 · 1900640
Henry's Law Constant: 2.4 · 2.4×10-4 mol/(m3Pa) at 25℃, Hilal et al. (2008)
InChI: InChI=1S/C6H10/c1-6-4-2-3-5-6/h4H,2-3,5H2,1H3
InChIKey: ATQUFXWBVZUTKO-UHFFFAOYSA-N
SMILES: C1(C)CCCC=1
LogP: 2.806 · 2.806 (est)
CAS Datenbank: 693 · 693-89-0(CAS DataBase Reference)
NIST chemische Informationen: 1 · Cyclopentene, 1-methyl-(693-89-0)
EPA chemische Informationen: 1 · Cyclopentene, 1-methyl- (693-89-0)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P280, P301+P316, P303+P361+P353, P331, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 56 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesFlam. Liq. 2 (100%)

Sicherheitsdaten

F: 10-23
wgk: 3
ridadr: UN 3295 3/PG 2
hs_code: 29021990
risk_code: 11-65
hazard_code: F,Xn
safety_code: 16-62-7
hazard_class: 3
packing_group: II
Speicherklasse: 3 - Flammable liquids
Hazard Classifications: Asp. Tox. 1Flam. Liq. 2

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden1-Methylcyclopentene can be used as:A probe molecule in the synthesis of alkenyl carbenium ions via adsorption on zeolite Y.A model olefin compound in the kinetic study of hydrogenation of olefins using various catalytic systems.A reactant to synthesize 1,2,3-trisubstitutedbenzocyclopentenes by reacting with β-disulfonyl iodonium ylides.