Basic information
- 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-1UN2452UNII-A6B47CPN6WEINECS 203-451-3A6B47CPN6WEthylacetylene, inhibitedEthyl acetylene, inhibitedC2H5C.$.CHDTXSID4029141
Show more names
Ethylethyne1-BUTYNE 98%C2H5CequivCHETHYLACETYLENE1-BUTYNE, 98+%1-Butyne (8CI, 9CI)ethylacetylene,inhibited
CHEBI:48087UN 2452ETHYL ACETYLENE, (STABILIZED)ETHYL ACETYLENE, [STABILIZED]Etilacetileno, inhibidoRefChem:75284Ethylacetylene, stabiliseDTXCID709141
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
- 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 DataBase Reference
- 107 · 107-00-6(CAS DataBase Reference)
- FDA UNII
- 6 B47CPN6W · A6B47CPN6W
- EPA Substance Registry System
- 1 · 1-Butyne (107-00-6)
- UNSPSC Code
- 12162002 · 12162002
- Symbol(GHS)
- 2 · GHS02,GHS04
- Signal word
- Danger
- Hazard statements
- 220 · H220-H280
- Precautionary statements
- 210 · P210-P377-P381-P403
- PPE
- Eyeshields, Faceshields, Gloves
- Hazard Codes
- F,F+
- Risk Statements
- 11 · 11-12
- Safety Statements
- 9 · 9-16-23-33
- RIDADR
- 2452 · UN 2452 (ETHYLACETYLENE, STABILIZED)
- WGK Germany
- 3 · 3
- RTECS
- 203 · 203-451-3
- TSCA
- TSCA listed
- HazardClass
- 2.1 · 2.1
- HS Code
- 2901230000 · 2901230000
- Storage Class
- 2 A · 2A - Gases
- Hazard Classifications
- 1 Press · Flam. Gas 1Press. Gas Liquefied gas
- Excepted Quantities
- Not Permitted as Excepted Quantity
Safety & regulation
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.
Hazards Summary
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
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
Ethylacetylene, stabilized
UN2452
Div 2.1 Flammable gas (49 eCFR § 173.115)
Air and Water ReactionsHighly flammable.
Safety & protection
Fire FightingExcerpt from ERG Guide 116 [Gases - Flammable (Unstable); polymerization hazard]:
Accidental Release Measures
· 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
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
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.
Toxicology
Adverse EffectsNeurotoxin - Acute solvent syndrome
Regulatory information
DHS Chemicals of Interest (COI)
Ethyl acetylene
1
10000
Flammable chemical that can be released at a facility.
Safety data
- PPE
- Eyeshields, Faceshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- 203-451-3
- ridadr
- UN 2452 (ETHYLACETYLENE, STABILIZED)
- hs_code
- 2901230000
- risk_code
- 11-12
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS04
- hazard_code
- F,F+
- safety_code
- 9-16-23-33
- hazard_class
- 2.1
- Storage Class
- 2A - Gases
- Hazard statements
- H220-H280
- Excepted Quantities
- Not Permitted as Excepted Quantity
- Hazard Classifications
- Flam. Gas 1Press. Gas Liquefied gas
- Precautionary statements
- P210-P377-P381-P403
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
Additional notes
DefinitionChEBI: A terminal acetylenic compound that is butane carrying a triple bond at position 1.
Related reactions
46 records
Linked notes
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