基本情報
- 標準SMILES
C#CCC- InChIKey
KDKYADYSIPSCCQ-UHFFFAOYSA-N- 分子式
- C4H6
- 平均分子量
- 54.09 g/mol
- 単同位体質量
- 54.04695019
概要
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.
名称と識別子
- 優先名称
- 1-Butyne
- IUPAC
- but-1-yne
- 現地名
- 1-ブチン
- 英語名
- 1-Butyne
- 分子式
- C4H6
- 分子量
- 54.09
名称と別名
1-BUTYNEbut-1-yneEthyl acetyleneButyne-1UN2452UNII-A6B47CPN6WEINECS 203-451-3A6B47CPN6WEthylacetylene, inhibitedEthyl acetylene, inhibitedC2H5C.$.CHDTXSID4029141
名称をさらに表示
1-ブチンエチルアセチレン1-ブチン,エチルアセチレンEthylethyne1-BUTYNE 98%C2H5CequivCHETHYLACETYLENE1-BUTYNE, 98+%1-Butyne (8CI, 9CI)ethylacetylene,inhibited
CHEBI:48087UN 2452ETHYL ACETYLENE, (STABILIZED)ETHYL ACETYLENE, [STABILIZED]Etilacetileno, inhibidoRefChem:75284Ethylacetylene, stabiliseDTXCID709141
データベース識別子
- CAS
107-00-6- PubChem CID
- 7846
- DTXSID
DTXSID4029141- ChEBI
CHEBI:48087- UNII
- A6B47CPN6W
- EC Number
- 203-451-3
- Nikkaji
- J4.044D
物性
構造計算による物性
- XLogP
- 1.3
- 極性表面積
- 0 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 0
- 回転可能結合数
- 0
- 重原子数
- 4
- 形式電荷
- 0
- 複雑度
- 35.2
実験および物理化学的性質
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]
物理化学的性質
- 融点
- -126 °C · -126°C
- 沸点
- 8 °C · 8°C
- 比重(密度)
- 0.678 · 0.678
- 屈折率
- 1.3962 · 1.3962
- 闪点
- -0.15 °C · -0.15°C
- 貯蔵温度
- 2 · 2-8°C
- 水溶解度
- 2.87 g/L · 2.87g/L(25℃)
- 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 データベース
- 107 · 107-00-6(CAS DataBase Reference)
- EPAの化学物質情報
- 1 · 1-Butyne (107-00-6)
化学的性質
化学的特性1-Butyne is a clear, colorless gas with a characteristic acetylenic odor. It is an extremely flammable and reactive alkyune and may cause frostbite. It is insoluble in water. It is a specialty gas mixture used in organic synthesis of compounds and instrument calibration; it has no specifi c or signifi cant industrial application. On combustion, 1-butyne releases carbon monoxide.
化学性质熱分解温度: 8.0℃, 接触分解温度: 0.18℃
安全と法規制
GHS分類
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.
危険有害性情報
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.
安全と保護具
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.
毒性情報
Adverse EffectsNeurotoxin - Acute solvent syndrome
法規制情報
DHS Chemicals of Interest (COI)
Ethyl acetylene
1
10000
Flammable chemical that can be released at a facility.
安全データ
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- 203-451-3
- ridadr
- UN 2452 (ETHYLACETYLENE, STABILIZED)
- hs_code
- 2901230000
- risk_code
- 11-12
- hazard_code
- F,F+
- safety_code
- 9-16-23-33
- hazard_class
- 2.1
- Hazard Classifications
- Flam. Gas 1Press. Gas Liquefied gas
- ストレージクラス
- 2A - Gases
化学と産業
用途と製造
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
応用分野
使用Specialty fuel, chemical intermediate.
一般的な説明A colorless gas. Denser than air. Prolonged exposure to intense heat may cause the containers to rupture violently and rocket.
上流・下流製品情報
上流原料
下流製品
補足説明
定義ChEBI: A terminal acetylenic compound that is butane carrying a triple bond at position 1.
関連反応
46 件
関連ノート
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