1-メチル-1,3-シクロペンタジエン

1-Methyl-1,3-cyclopentadiene

HCID 66775CAS 26519-91-5

基本情報

標準SMILES
CC1=CC=CC1
InChIKey
NFWSQSCIDYBUOU-UHFFFAOYSA-N
分子式
C6H8
平均分子量
80.13 g/mol
単同位体質量
80.06260026

概要

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.

名称と識別子

優先名称
1-Methyl-1,3-cyclopentadiene
IUPAC
1-methylcyclopenta-1,3-diene
現地名
1-メチル-1,3-シクロペンタジエン
英語名
1-methylcyclopenta-1,3-diene
分子式
C6H8
分子量
80.13

名称と別名

1,3-Cyclopentadiene, 1-methyl-96-39-91-Methyl-1,3-cyclopentadiene1-MethylcyclopentadieneK4O53GR393DTXSID101027739NSC-157581RefChem:1055720DTXCID1037515Methylcyclopentadiene1-methylcyclopenta-1,3-dieneMethylcyclopenta-1,3-diene
名称をさらに表示
1-メチルシクロペンタジエン1-メチル-1,3-シクロペンタジエン1-メチルシクロペンタ-1,3-ジエン1-メチル-1,3-シクロペンテン
26519-91-51,3-Cyclopentadiene, methyl-MonomethylcyclopentadieneNSC 157581methyl cyclopentadieneEINECS 247-757-5Cyclopentadiene, methyl-SCHEMBL135427

データベース識別子

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

物性

構造計算による物性

XLogP
1.8
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
6

実験および物理化学的性質

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

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]

物理化学的性質

融点
66 · 66-66.5 °C
沸点
73.5 · 73.5-74 °C(Press: 749 Torr)
比重(密度)
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

安全と法規制

危険有害性情報

Regulatory Information · 3 件

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 · 1 件

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

安全と保護具

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)]:

毒性情報

Adverse EffectsNeurotoxin - Acute solvent syndrome

化学と産業

関連反応

18 件

関連ノート

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