HuagongsheHuagongshe Chemistry Print Report · For research reference only
1-Butyne
but-1-yne · Butyne-1 · 1-Butyne · Ethylethyne · 1-BUTYNE 98% · C2H5CequivCH · ETHYLACETYLENE · 1-BUTYNE, 98+%
Identifiers & Physical Properties
| CAS No. | 107-00-6 |
|---|---|
| Molecular formula | C4H6 |
| Average molar mass | 54.09 g/mol |
| Monoisotopic mass | 54.04695019 g/mol |
| SMILES | C#CCC |
| InChIKey | KDKYADYSIPSCCQ-UHFFFAOYSA-N |
| PubChem CID | 7846 |
| ChEBI | CHEBI:48087 |
| EC No. | 203-451-3 |
| DTXSID | DTXSID4029141 |
Chemical & Physical Properties
| XLogP | 1.3 |
|---|---|
| Topological polar surface area | 0 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 0 |
| Rotatable bonds | 0 |
| Heavy atoms | 4 |
| Formal charge | 0 |
| Complexity | 35.2 |
| Chemical classes | Other Classes -> Aliphatics, UnsaturatedFlammable agents - 4th degree |
| SpringerMaterials Properties | Coriolis coupling |
| LogP (partition coefficient) | 1.46 |
| 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.LiquidGas Vapor[CAMEO] Odor of garlic[Matheson Tri-Gas MSDS] |
| Melting point | -126°C |
| Boiling point | 8°C |
| Density | 0.678 |
| Refractive index | 1.3962 |
| Flash point | -0.15°C |
| Storage conditions | 2-8°C |
| Solubility | 2.87g/L(25 ºC) |
| Henry's law constant | 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 | 107-00-6(CAS DataBase Reference) |
| FDA UNII | A6B47CPN6W |
| EPA Substance Registry System | 1-Butyne (107-00-6) |
| UNSPSC Code | 12162002 |
| GHS pictogram | GHS02,GHS04 |
| Signal word | Danger |
| GHS hazard statements | H220-H280 |
| GHS precautionary statements | P210-P377-P381-P403 |
| Personal protective equipment (PPE) | Eyeshields, Faceshields, Gloves |
| Hazard symbols | F,F+ |
| Risk statements (R) | 11-12 |
| Safety statements (S) | 9-16-23-33 |
| UN transport number | UN 2452 (ETHYLACETYLENE, STABILIZED) |
| Water hazard class (WGK) | 3 |
| RTECS number | 203-451-3 |
| TSCA inventory status | TSCA listed |
| Hazard class | 2.1Flam. Gas 1Press. Gas Liquefied gas |
| Customs code | 2901230000 |
| Storage class | 2A - Gases |
| Excepted quantities | Not Permitted as Excepted Quantity |
Safety & Regulations
| GHS classification | This chemical does not meet GHS hazard criteria for 3% (5 of 164) of reports.DangerH220 (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. |
|---|---|
| Regulatory information | Chemical: 1-Butyne1-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 standardThe 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 information | IMAP assessments - 1-Butyne: Human health tier I assessment |
| DOT label | Flammable 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 airHeat may cause explosive polymerization[CAMEO] Extremely flammable and forms explosive mixtures with airMay polymerizeInhalation may cause difficulty breathing, suffocation, convulsions, and coma[Matheson Tri-Gas MSDS] Rapidly expanding gases can cause frostbiteA simple asphyxiant[Airgas MSDS] Ethylacetylene, stabilized (UN2452) has warning of explosive polymerization[ERG 2016] See Acetylene. |
| DOT ID and guide | 2452 116P |
| Reactive group | Hydrocarbons, Aliphatic Unsaturated |
| Reactivity Alerts | Highly 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, stabilizedUN2452Div 2.1 Flammable gas (49 eCFR § 173.115) |
| Air and Water Reactions | Highly flammable. |
| Fire fighting | Excerpt 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 response | Excerpt 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. |
| Adverse effects | Neurotoxin - Acute solvent syndrome |
| DHS Chemicals of Interest (COI) | Ethyl acetylene110000Flammable chemical that can be released at a facility. |
| Personal protective equipment (PPE) | Eyeshields, Faceshields, Gloves |
| Water hazard class (WGK) | 3 |
| TSCA inventory status | TSCA listed |
| RTECS number | 203-451-3 |
| UN transport number | UN 2452 (ETHYLACETYLENE, STABILIZED) |
| Customs code | 2901230000 |
| Risk statements (R) | 11-12 |
| Signal word | Danger |
| GHS pictogram | GHS02,GHS04 |
| Hazard symbols | F,F+ |
| Safety statements (S) | 9-16-23-33 |
| Hazard class | 2.1Flam. Gas 1Press. Gas Liquefied gas |
| Storage class | 2A - Gases |
| GHS hazard statements | H220-H280 |
| Excepted quantities | Not Permitted as Excepted Quantity |
| GHS precautionary statements | P210-P377-P381-P403 |
Applications & Uses
Description
Ethyl 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.
Uses
Specialty fuel, chemical intermediate.
General Description
A colorless gas. Denser than air. Prolonged exposure to intense heat may cause the containers to rupture violently and rocket.