1-Butyne
Basic information
- CAS
107-00-6- Standard SMILES
C#CCC- InChIKey
KDKYADYSIPSCCQ-UHFFFAOYSA-N- Molecular formula
- C4H6
- Average molar mass
- 54.09 g/mol
- Monoisotopic mass
- 54.04695019
Overview
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.
Names & identifiers
- Preferred name
- 1-Butyne
- IUPAC
- but-1-yne
- English name
- 1-Butyne
- Molecular formula
- C4H6
- Molecular weight
- 54.09
Names & synonyms
1-BUTYNEbut-1-yneEthyl acetyleneButyne-1UN2452Ethylacetylene, inhibitedUNII-A6B47CPN6WEINECS 203-451-3A6B47CPN6WEtilacetileno, inhibidoEthylacetylene, stabiliseEthyl acetylene, inhibited
Show more names
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]
Database identifiers
- CAS
107-00-6- PubChem CID
- 7846
- DTXSID
DTXSID4029141- ChEBI
CHEBI:48087- UNII
- A6B47CPN6W
- EC Number
- 203-451-3
- Nikkaji
- J4.044D
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 4
- Formal charge
- 0
- Complexity
- 35.2
Experimental & physicochemical properties
Chemical Classes
Other Classes -> Aliphatics, Unsaturated
Flammable agents - 4th degree
SpringerMaterials PropertiesCoriolis coupling
LogP1.46
Physical Description
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]
Physicochemical properties
- Melting point
- -126 °C · -126°C
- Boiling point
- 8 °C · 8°C
- Density
- 0.678 · 0.678
- refractive index
- 1.3962 · 1.3962
- Flash point
- -0.15 °C · -0.15°C
- storage temp.
- 2 · 2-8°C
- Water Solubility
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
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.
Hazard information
Regulatory Information
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
Excerpt from ERG Guide 116 [Gases - Flammable (Unstable); polymerization hazard]:
· EXTREMELY FLAMMABLE.
Health Hazards
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.
Chemistry & industry
Uses & manufacturing
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
Petroleum Refineries
1-Butyne: ACTIVE
Applications
DescriptionEthyl acetylene is a colorless, compressed gasor liquid. Molecular weight = 54.0; Boiling point = 8.1℃;Freezing/Melting point = -130℃; Flash point = -7℃.Hazard Identification (based on NFPA-704 M RatingSystem): Health 1, Flammability 4, Reactivity 2. Insolublein water.
UsesSpecialty fuel, chemical intermediate.
General DescriptionA colorless gas. Denser than air. Prolonged exposure to intense heat may cause the containers to rupture violently and rocket.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
46 records
Compound notes
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