1-메틸사이클로펜타-1,3-디엔

1-Methyl-1,3-cyclopentadiene

HCID 66775CAS 26519-91-5

기본 정보

표준 SMILES
CC1=CC=CC1
InChIKey
NFWSQSCIDYBUOU-UHFFFAOYSA-N
분자식
C6H8
평균 분자량
80.13 g/mol
단동위원소 질량
80.06260026

개요

Methylcyclopentadiene appears as a pale yellow liquid or crystalline solid. Less dense than water and insoluble in water. Hence floats on water. Vapors are heavier than air. Vapor can injure the eyes and respiratory tract and may cause headaches and dizziness. Vapor is anesthetic and may have other central nervous system effects. Vapor may also cause liver and kidney disorder. Ingestion of the liquid into the respiratory system, or from vomiting, may cause bronchopneumonia or pulmonary edema.

이름 및 식별자

우선 이름
1-Methyl-1,3-cyclopentadiene
IUPAC
1-methylcyclopenta-1,3-diene
현지명
1-메틸사이클로펜타-1,3-디엔
영어명
1-methylcyclopenta-1,3-diene
분자식
C6H8
분자량
80.13

이름 및 동의어

1,3-Cyclopentadiene, 1-methyl-96-39-91-Methyl-1,3-cyclopentadiene1-MethylcyclopentadieneK4O53GR393DTXSID101027739NSC-157581RefChem:1055720DTXCID1037515Methylcyclopentadiene1-methylcyclopenta-1,3-dieneMethylcyclopenta-1,3-diene
이름 더 보기
1-메틸사이클로펜타-1,3-디엔
26519-91-51,3-Cyclopentadiene, methyl-MonomethylcyclopentadieneNSC 157581methyl cyclopentadieneEINECS 247-757-5Cyclopentadiene, methyl-SCHEMBL135427

데이터베이스 식별자

CAS
26519-91-5、96-39-9
PubChem CID
66775
DTXSID
DTXSID101027739
UNII
K4O53GR393
EC Number
247-757-5
Nikkaji
J23.455I

물성

구조 계산 물성

XLogP
1.8
극성 표면적
0 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
0
회전 가능 결합 수
0
무거운 원자 수
6

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Aliphatics, Unsaturated
SpringerMaterials PropertiesDensity
Physical Description · 3건

Methylcyclopentadiene appears as a pale yellow liquid or crystalline solid. Less dense than water and insoluble in water. Hence floats on water. Vapors are heavier than air. Vapor can injure the eyes and respiratory tract and may cause headaches and dizziness. Vapor is anesthetic and may have other central nervous system effects. Vapor may also cause liver and kidney disorder. Ingestion of the liquid into the respiratory system, or from vomiting, may cause bronchopneumonia or pulmonary edema.

Liquid

Pale yellow liquid or solid; [CAMEO]

물리화학적 성질

녹는점
66 · 66-66.5 °C
끓는 점
73.5 · 73.5-74 °C(Press: 749 Torr)
밀도
0.8053 g/cm3 · 0.8053 g/cm3
InChI
InChI=1S/C6H8/c1-6-4-2-3-5-6/h2-4H,5H2,1H3
InChIKey
NFWSQSCIDYBUOU-UHFFFAOYSA-N
SMILES
C1(C)CC=CC=1

안전 및 규제

유해성 정보

Regulatory Information · 3건

Chemical: 1,3-Cyclopentadiene, methyl-

1,3-Cyclopentadiene, methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,3-Cyclopentadiene, methyl- 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)

1,3-Cyclopentadiene, methyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

DOT LabelFlammable Liquid
Fire HazardsExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
Health HazardsExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
Hazards Summary · 1건

Highly flammable; Vapor may cause eye and respiratory tract injury; Inhalation may have anesthetic and other CNS effects; May cause liver and kidney injury; An aspiration hazard by ingestion (may cause respiratory tract damage); [CAMEO] See Cyclopentadiene.

Reactive GroupHydrocarbons, Aliphatic Unsaturated

안전 및 보호

Fire FightingExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
First AidExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
Nonfire Spill ResponseExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
Isolation and EvacuationExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
Personal Protective Equipment (PPE)Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:

독성 정보

Adverse EffectsNeurotoxin - Acute solvent syndrome

화학 및 산업

관련 반응

18건

연결된 노트

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