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
名称をさらに表示
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
- 形式電荷
- 0
- 複雑度
- 96.6
実験および物理化学的性質
Physical Description
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
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.
Hazards Summary
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.
安全と保護具
毒性情報
化学と産業
用途と製造
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
1,3-Cyclopentadiene, methyl-: ACTIVE
上流・下流製品情報
上流原料
下流製品
関連反応
関連ノート
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