2-Methylbut-1-en-3-in

Isopropenylacetylene

HCID 62323

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Grundinformationen

CAS: 78-80-8
Standard-SMILES: C#CC(=C)C
InChIKey: BOFLDKIFLIFLJA-UHFFFAOYSA-N
Summenformel: C5H6
Durchschnittliche Molmasse: 66,1 g/mol
Monoisotopische Masse: 66,04695019

Überblick

isopropenylacetylene has been reported in Chrysanthemum morifolium with data available.

Namen und Bezeichner

Bevorzugter Name: Isopropenylacetylene
IUPAC: 2-methylbut-1-en-3-yne
Lokaler Name: 2-Methylbut-1-en-3-in
Englischer Name: 2-Methyl-1-buten-3-yne
Summenformel: C5H6
Molmasse: 66.1

Namen und Synonyme

2-Methyl-1-buten-3-yneIsopropenylacetylene2-Methylbut-1-en-3-yne78-80-83-Methyl-3-buten-1-yne1-BUTEN-3-YNE, 2-METHYL-2-MethylbutenyneEINECS 201-144-9P92A4F7TZSBRN 09691752-Methyl-1-butenyneAI3-25132

Weitere Namen anzeigen

ValyleneCH2=C(CH3)CequivCHIsopropenylancetylene2-methyl-1-buten-3-ynISOPROPENYLACETHYLENE

NSC-92963-methyl-3-butene-1-yne1-Butene-3-yne, 2-methyl-CH2=C(CH3)C.$.CHDTXSID202286484-01-00-01089 (Beilstein Handbook Reference)RefChem:149789DTXCID70151139

Datenbank-Bezeichner

CAS: 78-80-8
PubChem CID: 62323
DTXSID: DTXSID20228648
UNII: P92A4F7TZS
EC Number: 201-144-9
Nikkaji: J42.742J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,9
Polarare Oberfläche (TPSA): 0 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 0
Frei drehbare Bindungen: 1
Schwere Atome: 5
Formalladung: 0
Komplexität: 79,5

Experimentelle und physikochemische Eigenschaften

Chemical ClassesFlammable agents - 4th degree

SpringerMaterials PropertiesCoriolis coupling

Physikochemische Eigenschaften

Schmelzpunkt: -113 °C · -113 °C
Siedepunkt: 32 °C · 32 °C(lit.)
Dichte: 0.695 g/mL · 0.695 g/mL at 25 °C(lit.)
Dampfdruck: 8.96 psi · 8.96 psi ( 20 °C)
Brechungsindex: 20 · n20/D 1.416(lit.)
Flammpunkt: 20 °F · 20 °F
storage temp.: 2 · 2-8°C
Löslichkeit: soluble in Chloroform, Methanol
Aggregatzustand: Liquid
Farbe: Clear
Wasserlöslichkeit: Not miscible in water.
BRN: 969175 · 969175
InChI: 1S/C5H6/c1-4-5(2)3/h1H,2H2,3H3
InChIKey: BOFLDKIFLIFLJA-UHFFFAOYSA-N
SMILES: CC(=C)C#C

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H224 (95.7%): Extremely flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P330, P331, 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 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory InformationThe New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)

Hazard Classes and Categories · 2 Einträge

Flam. Liq. 1 (95.7%)

Flammable agents - 4th degree, Reactive agents - 2nd degree

Sicherheitsdaten

F: 10-19-23
wgk: 3
ridadr: UN 3295 3/PG 1
hs_code: 29012900
RTECS-Nr.: EN0960000
risk_code: 12-20/22-36/37/38-65
hazard_code: F+,Xn,F,Xi
safety_code: 16-26-36/37-62
hazard_class: 3
packing_group: I
Speicherklasse: 3 - Flammable liquids
Hazard Classifications: Acute Tox. 4 OralAsp. Tox. 1Eye Irrit. 2Flam. Liq. 1Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen

Verwenden2-Methyl-1-buten-3-yne is a reagent used in analytical studies to determine the aroma compounds present in various things by using pyrolysis gas chromatography mass spectrometry techniques.