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에틸 아세틸렌

1-Butyne

HCID 7846
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기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
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기본 정보

CAS
107-00-6
표준 SMILES
C#CCC
InChIKey
KDKYADYSIPSCCQ-UHFFFAOYSA-N
분자식
C4H6
평균 분자량
54.09 g/mol
단동위원소 질량
54.04695019

개요

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.

이름 및 식별자

우선 이름
1-Butyne
IUPAC
but-1-yne
현지명
에틸 아세틸렌
영어명
1-Butyne
분자식
C4H6
분자량
54.09

이름 및 동의어

1-BUTYNEbut-1-yneEthyl acetyleneButyne-1UN2452Ethylacetylene, inhibitedUNII-A6B47CPN6WEINECS 203-451-3A6B47CPN6WEtilacetileno, inhibidoEthylacetylene, stabiliseEthyl acetylene, inhibited
이름 더 보기
에틸아세틸렌에틸아세틸렌1-부틴Ethylethyne1-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]

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP
1.3
극성 표면적
0 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
0
회전 가능 결합 수
0
무거운 원자 수
4
형식 전하
0
복잡도
35.2

실험 및 물리화학적 성질

Chemical Classes · 2건

Other Classes -> Aliphatics, Unsaturated

Flammable agents - 4th degree

SpringerMaterials PropertiesCoriolis coupling
LogP1.46
Physical Description · 3건

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]

물리화학적 성질

녹는점
-126 °C · -126°C
끓는 점
8 °C · 8°C
밀도
0.678 · 0.678
굴절률
1.3962 · 1.3962
인화점
-0.15 °C · -0.15°C
저장 조건
2 · 2-8°C
수용성
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
EPA
1 · 1-Butyne (107-00-6)
화학적 성질 · 1건

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.

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

GHS 분류

GHS Classification · 5건

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.

유해성 정보

Regulatory Information · 4건

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 · 2건

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

· EXTREMELY FLAMMABLE.

Health Hazards · 2건

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 · 1건

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 · 1건

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 · 3건

Ethylacetylene, stabilized

UN2452

Div 2.1 Flammable gas (49 eCFR § 173.115)

Air and Water ReactionsHighly flammable.

안전 및 보호

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

· 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 · 2건

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 · 2건

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.

독성 정보

Adverse EffectsNeurotoxin - Acute solvent syndrome

규제 정보

DHS Chemicals of Interest (COI) · 4건

Ethyl acetylene

1

10000

Flammable chemical that can be released at a facility.

안전 데이터

wgk
3
tsca
TSCA listed
rtecs
203-451-3
ridadr
UN 2452 (ETHYLACETYLENE, STABILIZED)
HS 번호
2901230000
risk_code
11-12
hazard_code
F,F+
safety_code
9-16-23-33
위험 등급
2.1
기존화학 물질
KE-04380
Hazard Classifications
Flam. Gas 1Press. Gas Liquefied gas
스토리지 클래스
2A - Gases

화학 및 산업

용도 및 제조

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 · 2건

Petroleum Refineries

1-Butyne: ACTIVE

응용 분야

용도Specialty fuel, chemical intermediate.

일반 설명A colorless gas. Denser than air. Prolonged exposure to intense heat may cause the containers to rupture violently and rocket.

상·하류 제품 정보

상류 원료

1,2-부타디엔2-부틴프로파질클로라이드

하류 제품

시스헥세놀(Z)-2-클로로-2-부텐1-트리메틸실릴-1-부틴헥신(3-)메틸2-펜티노에이트1-Phenyl-1-butyne2,2-디메톡시부탄(Z)-2-Bromo-2-butene

추가 설명

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

관련 반응

46건
반응 기록 만들기
HRID 1944 반응식
HRID 1944반응물로uspto-grants-1998_03
HRID 6380 반응식
HRID 6380반응물로uspto-grants-1993_09
HRID 9178 반응식
HRID 9178반응물로uspto-grants-2006_08
HRID 9186 반응식
HRID 9186반응물로uspto-grants-2006_08
HRID 157026 반응식
HRID 157026반응물로Training data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 200272 반응식
HRID 200272반응물로Training data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 291605 반응식
HRID 291605반응물로Training data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 347824 반응식
HRID 347824반응물로uspto-grants-2007_02
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