4-Methyl-1-pentyne

HCID 138948

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Grundinformationen

CAS: 7154-75-8
Standard-SMILES: C#CCC(C)C
InChIKey: OXRWICUICBZVAE-UHFFFAOYSA-N
Summenformel: C6H10
Durchschnittliche Molmasse: 82,14 g/mol
Monoisotopische Masse: 82,07825032

Namen und Bezeichner

Bevorzugter Name: 4-Methyl-1-pentyne
IUPAC: 4-methylpent-1-yne
Englischer Name: 4-Methyl-1-pentyne
Summenformel: C6H10
Molmasse: 82.14

Namen und Synonyme

4-Methyl-1-pentyne7154-75-8Isobutylacetylene1-Pentyne, 4-methyl-Isobutylethyne9X7KAS72KSNSC-739052-METHYL-4-PENTYNEDTXSID00221778NSC 73905RefChem:524945DTXCID30144269

Weitere Namen anzeigen

CH≡CCH2CH(CH3)24-methylpentyne(CH3)2CHCH2CequivCH4,4-Dimethyl-1-butyne4-Methyl-1-pentyne>

627-544-74-methylpent-1-yne4-methyl-pent-1-yneNSC73905MFCD00039857Isobutyl acetylene4-Methyl-1-pentyne, 98%4-methylpentine

Datenbank-Bezeichner

CAS: 7154-75-8
PubChem CID: 138948
DTXSID: DTXSID00221778
UNII: 9X7KAS72KS
EC Number: 627-544-7
Nikkaji: J102.101J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,1
Polarare Oberfläche (TPSA): 0 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 0
Frei drehbare Bindungen: 1
Schwere Atome: 6
Formalladung: 0
Komplexität: 61

Experimentelle und physikochemische Eigenschaften

Kovats Retention Index550；552；552；553；553

Physikochemische Eigenschaften

Schmelzpunkt: -104.6 °C · -104.6°C
Siedepunkt: 61 · 61-62 °C (lit.)
Dichte: 0.698 g/mL · 0.698 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.393(lit.)
Flammpunkt: 24 °F · 24 °F
storage temp.: Refrigerator
Aggregatzustand: clear liquid
Farbe: Colorless to Almost colorless
Wasserlöslichkeit: Insoluble in water. Soluble in common organic solvents of low polarity.
BRN: 1731077 · 1731077
Henry's Law Constant: 4.5 · 4.5×10-4 mol/(m3Pa) at 25℃, Yaws (2003)
InChI: 1S/C6H10/c1-4-5-6(2)3/h1,6H,5H2,2-3H3
InChIKey: OXRWICUICBZVAE-UHFFFAOYSA-N
SMILES: CC(C)CC#C

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]；H304 (25.9%): May be fatal if swallowed and enters airways [Danger Aspiration hazard]

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 54 reports by companies from 5 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

Hazard Classes and CategoriesFlam. Liq. 2 (100%)；Asp. Tox. 1 (25.9%)

Sicherheitsdaten

wgk: 3
ridadr: UN 1993 3/PG 1
hs_code: 29012990
risk_code: 11
hazard_code: F
safety_code: 16-33
hazard_class: 3
packing_group: II
Speicherklasse: 3 - Flammable liquids
Hazard Classifications: Flam. Liq. 2

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden4-Methyl-1-pentyne, is used as a polymer matrix together with synthesized NH2-MIL 53 metal organic framework (MOF) as a filler were used to fabricate a mixed matrix membrane (MMM). It is also used in addition reactions which are typical in alkyne reactions such as halogenation, hydrogenation, hydrohalogenation, hydration, oxidative cleavage, nitrile formation and acidity of terminal alkynes. Polymerisation and substitution reactions are also useful in chemical synthesis.