StartseiteMCPWorkbenchSkills
StartseiteWorkbenchBenachrichtigungenMein Bereich
llms.txt · MCP-AnleitungDatenschutz · Nutzungsbedingungen · Supportv1.8.0
  1. Startseite
  2. /Verbindung

But-1-in

1-Butyne

HCID 7846
Neue NotizNeue ReaktionAnfrage stellen
Druckvorschau
GrundinformationenÜberblickNamen und BezeichnerEigenschaftenSicherheit und RegulatorischesChemie und IndustrieZugehörige ReaktionenNotizen zur Verbindung
TeilstruktursucheÄhnliche Strukturen suchen

Grundinformationen

CAS
107-00-6
Standard-SMILES
C#CCC
InChIKey
KDKYADYSIPSCCQ-UHFFFAOYSA-N
Summenformel
C4H6
Durchschnittliche Molmasse
54,09 g/mol
Monoisotopische Masse
54,04695019

Überblick

Ethyl acetylene, stabilized appears as a colorless gas. Denser than air. Prolonged exposure to intense heat may cause the containers to rupture violently and rocket.

Namen und Bezeichner

Bevorzugter Name
1-Butyne
IUPAC
but-1-yne
Lokaler Name
But-1-in
Englischer Name
1-Butyne
Summenformel
C4H6
Molmasse
54.09

Namen und Synonyme

1-BUTYNEbut-1-yneEthyl acetyleneButyne-1UN2452Ethylacetylene, inhibitedUNII-A6B47CPN6WEINECS 203-451-3A6B47CPN6WEtilacetileno, inhibidoEthylacetylene, stabiliseEthyl acetylene, inhibited
Weitere Namen anzeigen
Ethylethyne1-BUTYNE 98%C2H5CequivCHETHYLACETYLENE1-BUTYNE, 98+%1-Butyne (8CI, 9CI)ethylacetylene,inhibited
UN 2452C2H5C.$.CHDTXSID4029141CHEBI:48087ETHYL ACETYLENE, (STABILIZED)Etilacetileno, inhibido (Spanish DOT)Ethylacetylene, stabilise (French DOT)ETHYL ACETYLENE, [STABILIZED]

Datenbank-Bezeichner

CAS
107-00-6
PubChem CID
7846
DTXSID
DTXSID4029141
ChEBI
CHEBI:48087
UNII
A6B47CPN6W
EC Number
203-451-3
Nikkaji
J4.044D

Eigenschaften

Berechnete Struktureigenschaften

XLogP
1,3
Polarare Oberfläche (TPSA)
0 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
0
Frei drehbare Bindungen
0
Schwere Atome
4
Formalladung
0
Komplexität
35,2

Experimentelle und physikochemische Eigenschaften

Chemical Classes · 2 Einträge

Other Classes -> Aliphatics, Unsaturated

Flammable agents - 4th degree

SpringerMaterials PropertiesCoriolis coupling
LogP1.46
Physical Description · 3 Einträge

Ethyl acetylene, stabilized appears as a colorless gas. Denser than air. Prolonged exposure to intense heat may cause the containers to rupture violently and rocket.

Liquid; Gas Vapor

Colorless gas; [CAMEO] Odor of garlic; [Matheson Tri-Gas MSDS]

Physikochemische Eigenschaften

Schmelzpunkt
-126 °C · -126°C
Siedepunkt
8 °C · 8°C
Dichte
0.678 · 0.678
Brechungsindex
1.3962 · 1.3962
Flammpunkt
-0.15 °C · -0.15°C
storage temp.
2 · 2-8°C

Sicherheit und Regulatorisches

Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 3% (5 of 164) of reports.

Danger

H220 (97%): Extremely flammable gas [Danger Flammable gases]

P203, P210, P222, P280, P377, P381, P403, and P410+P403 (click each P-code to see the statement)

Aggregated GHS information provided per 164 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 4 Einträge

Chemical: 1-Butyne

1-Butyne is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Butyne 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-Butyne: Does not have an individual approval but may be used under an appropriate group standard

The 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.)

Other Safety InformationIMAP assessments - 1-Butyne: Human health tier I assessment
DOT LabelFlammable Gas
Fire Hazards · 2 Einträge

Excerpt from ERG Guide 116 [Gases - Flammable (Unstable); polymerization hazard]:

· EXTREMELY FLAMMABLE.

Health Hazards · 2 Einträge

Excerpt from ERG Guide 116 [Gases - Flammable (Unstable); polymerization hazard]:

· Vapors may cause dizziness or asphyxiation without warning, especially when in closed or confined areas.

Chemie und Industrie

Verwendung und Herstellung

UsesUsed as an intermediate and special fuel; [Hawley]
U.S. Production2023: 1,000,000 - <8,500,000 lb
Consumer UsesIntermediate
Industry UsesIntermediate
General Manufacturing Information · 2 Einträge

Petroleum Refineries

1-Butyne: ACTIVE

Anwendungen

VerwendenSpecialty fuel, chemical intermediate.

Vor- und nachgelagerte Produkte

Vorgelagerte Rohstoffe

Buta-1,2-dienBut-2-in3-Chlorpropin

Nachgelagerte Produkte

cis-Hex-3-en-1-ol(Z)-2-Chloro-2-butene1-Trimethylsilyl-1-butyneHex-3-inMethylpent-2-yn-1-oat1-Butinylbenzol2,2-Dimethoxybutane(Z)-2-Bromo-2-butene

Zugehörige Reaktionen

46
Reaktionsaufzeichnung erstellen
Reaktionsgleichung von HRID 1944
HRID 1944als Eduktuspto-grants-1998_03
Reaktionsgleichung von HRID 6380
HRID 6380als Eduktuspto-grants-1993_09
Reaktionsgleichung von HRID 9178
HRID 9178als Eduktuspto-grants-2006_08
Reaktionsgleichung von HRID 9186
HRID 9186als Eduktuspto-grants-2006_08
Reaktionsgleichung von HRID 157026
HRID 157026als EduktTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaktionsgleichung von HRID 200272
HRID 200272als EduktTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaktionsgleichung von HRID 291605
HRID 291605als EduktTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaktionsgleichung von HRID 347824
HRID 347824als Eduktuspto-grants-2007_02
Seite 1 von 6

Notizen zur Verbindung

Wird geladen…

Auf dieser SeiteGrundinformationenÜberblickNamen und BezeichnerEigenschaftenSicherheit und RegulatorischesChemie und IndustrieZugehörige ReaktionenNotizen zur Verbindung
Weitere Aktionen
Neue NotizNeue ReaktionAnfrage stellen
Wasserlöslichkeit
2.87 g/L · 2.87g/L(25 ºC)
Henry's Law Constant
5.6 · 5.6×10-4 mol/(m3Pa) at 25℃, Brockbank (2013)
InChI
InChI=1S/C4H6/c1-3-4-2/h1H,4H2,2H3
InChIKey
KDKYADYSIPSCCQ-UHFFFAOYSA-N
SMILES
C#CCC
CAS Datenbank
107 · 107-00-6(CAS DataBase Reference)
EPA chemische Informationen
1 · 1-Butyne (107-00-6)
Hazards Summary · 1 Eintrag

Highly flammable and forms explosive mixtures with air; Heat may cause explosive polymerization; [CAMEO] Extremely flammable and forms explosive mixtures with air; May polymerize; Inhalation may cause difficulty breathing, suffocation, convulsions, and coma; [Matheson Tri-Gas MSDS] Rapidly expanding gases can cause frostbite; A simple asphyxiant; [Airgas MSDS] Ethylacetylene, stabilized (UN2452) has warning of explosive polymerization; [ERG 2016] See Acetylene.

DOT ID and Guide2452 116P
Reactive GroupHydrocarbons, Aliphatic Unsaturated
Reactivity AlertsHighly Flammable
Reactivity Profile · 1 Eintrag

ETHYL ACETYLENE may react vigorously with strong oxidizing agents. May react exothermically with reducing agents to release hydrogen gas. In the presence of various catalysts (such as acids) or initiators, may undergo exothermic polymerization.

DOT Hazard Classification · 3 Einträge

Ethylacetylene, stabilized

UN2452

Div 2.1 Flammable gas (49 eCFR § 173.115)

Air and Water ReactionsHighly flammable.

Sicherheit und Schutzausrüstung

Fire FightingExcerpt from ERG Guide 116 [Gases - Flammable (Unstable); polymerization hazard]:
Accidental Release Measures · 2 Einträge

· CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.

· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area.

First Aid · 2 Einträge

Excerpt from ERG Guide 116 [Gases - Flammable (Unstable); polymerization hazard]:

General First Aid:

Exposure Control and Personal Protection· Wear positive pressure self-contained breathing apparatus (SCBA).
Nonfire Spill ResponseExcerpt from ERG Guide 116 [Gases - Flammable (Unstable); polymerization hazard]:
Isolation and Evacuation · 2 Einträge

Excerpt from ERG Guide 116 [Gases - Flammable (Unstable); polymerization hazard]:

Immediate precautionary measure

Personal Protective Equipment (PPE)Excerpt from ERG Guide 116 [Gases - Flammable (Unstable); polymerization hazard]:
Emergency Response Planning Guidelines· DO NOT EXTINGUISH A LEAKING GAS FIRE UNLESS LEAK CAN BE STOPPED.

Toxikologische Informationen

Adverse EffectsNeurotoxin - Acute solvent syndrome

Regulatorische Informationen

DHS Chemicals of Interest (COI) · 4 Einträge

Ethyl acetylene

1

10000

Flammable chemical that can be released at a facility.

Sicherheitsdaten

wgk
3
tsca
TSCA listed
ridadr
UN 2452 (ETHYLACETYLENE, STABILIZED)
hs_code
2901230000
RTECS-Nr.
203-451-3
risk_code
11-12
hazard_code
F,F+
safety_code
9-16-23-33
hazard_class
2.1
Speicherklasse
2A - Gases
Hazard Classifications
Flam. Gas 1Press. Gas Liquefied gas

Ergänzende Hinweise

DefinitionChEBI: A terminal acetylenic compound that is butane carrying a triple bond at position 1.