1-Ethynylcyclohexene

HCID 79128CAS 931-49-7

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Grundinformationen

Standard-SMILES: C#CC1=CCCCC1
InChIKey: DKFHWNGVMWFBJE-UHFFFAOYSA-N
Summenformel: C8H10
Durchschnittliche Molmasse: 106,16 g/mol
Monoisotopische Masse: 106,07825032

Überblick

structure in first source

Namen und Bezeichner

Bevorzugter Name: 1-Ethynylcyclohexene
IUPAC: 1-ethynylcyclohexene
Englischer Name: 1-Ethynylcyclohexene
Summenformel: C8H10
Molmasse: 106.17

Namen und Synonyme

1-ethynylcyclohexene931-49-7Cyclohexene, 1-ethynyl-1-ethynyl-1-cyclohexene7TJ42SRP2ZDTXSID5073244RefChem:432735DTXCID9048855618-915-41-ethynylcyclohex-1-eneethynylcyclohexeneMFCD00001568

Weitere Namen anzeigen

TIMTEC-BB SBB0026481-ethynyl-cyclohexen1-ethvnvlcvclohexene1-Cyclohexenylacetylene1-(1-Cyclohexenyl)ethyne

(1-Cyclohexenyl)acetyleneUNII-7TJ42SRP2Z1-ETHYNYL-CYCLOHEXENEcyclohexenylacetylene1-Ethynylcyclohexene, 99%CYCLOHEX-1-ENYLACETYLENESY045891F14623

Datenbank-Bezeichner

CAS: 931-49-7
PubChem CID: 79128
DTXSID: DTXSID5073244
ChEMBL: CHEMBL232741
UNII: 7TJ42SRP2Z
EC Number: 618-915-4
Nikkaji: J329.372F

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,3
Polarare Oberfläche (TPSA): 0 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 0
Frei drehbare Bindungen: 1
Schwere Atome: 8
Formalladung: 0
Komplexität: 143

Experimentelle und physikochemische Eigenschaften

Food Contact SubstancesFCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR

Physikochemische Eigenschaften

Siedepunkt: 148 · 148-151 °C(lit.)
Dichte: 0.903 g/mL · 0.903 g/mL at 25 °C(lit.)
Brechungsindex: 20 · n20/D 1.496(lit.)
Flammpunkt: 85 °F · 85 °F
storage temp.: 2 · 2-8°C
Aggregatzustand: clear liquid
Farbe: Colorless to Light orange to Yellow
InChI: 1S/C8H10/c1-2-8-6-4-3-5-7-8/h1,6H,3-5,7H2
InChIKey: DKFHWNGVMWFBJE-UHFFFAOYSA-N
SMILES: C#CC1=CCCCC1
EPA chemische Informationen: 1 · Cyclohexene, 1-ethynyl- (931-49-7)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 2 Einträge

Chemical: Cyclohexene, 1-ethynyl-

Cyclohexene, 1-ethynyl-: 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.

Hazard Classes and CategoriesFlam. Liq. 3 (100%)