基本情報
- CAS
42296-74-2- 標準SMILES
C=CC=CCC- InChIKey
AHAREKHAZNPPMI-UHFFFAOYSA-N- 分子式
- C6H10
- 平均分子量
- 82.14 g/mol
- 単同位体質量
- 82.07825032
概要
Hexadiene appears as a clear colorless liquid with a petroleum-like odor. Less dense than water and insoluble in water. Hence floats on water. Vapors heavier than air.
名称と識別子
- 優先名称
- Hexadiene
- IUPAC
- hexa-1,3-diene
- 現地名
- ヘキサジエンHexadiene
- 英語名
- 1,5-Hexadiene
- 分子式
- C6H10
- 分子量
- 82.14
名称と別名
42296-74-2RefChem:786068DTXSID701053433HEXADIENEhexa-1,3-dienen-Hexadien1,a3-aHexadieneSCHEMBL20053SCHEMBL22112SCHEMBL29274SCHEMBL120940SCHEMBL122477
名称をさらに表示
ヘキサジエンHexadieneDIALLYLBIALLYLHEXADIENES1,5-Hexadiene
SCHEMBL161162SCHEMBL247521SCHEMBL833539SCHEMBL835439SCHEMBL835803SCHEMBL4109891SCHEMBL4664085SCHEMBL4665457
データベース識別子
- CAS
42296-74-2、592-48-3- PubChem CID
- 11602
- DTXSID
DTXSID00870644
物性
構造計算による物性
- XLogP
- 3.2
- 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
- 2
- 重原子数
- 6
- 形式電荷
- 0
- 複雑度
- 51.1
実験および物理化学的性質
SpringerMaterials PropertiesDensity
Physical DescriptionHexadiene appears as a clear colorless liquid with a petroleum-like odor. Less dense than water and insoluble in water. Hence floats on water. Vapors heavier than air.
物理化学的性質
- 融点
- 141 °C · −141 °C(lit.)
- 沸点
- 60 °C · 60 °C(lit.)
- 比重(密度)
- 0.692 g/mL · 0.692 g/mL at 25 °C(lit.)
- 蒸気圧
- 367 mm · 367 mm Hg ( 37.7 °C)
- 屈折率
- 20 · n20/D 1.404(lit.)
- 闪点
- 17 °F · −17 °F
- CAS データベース
- 42296 · 42296-74-2(CAS DataBase Reference)
- EPAの化学物質情報
- Hexadiene (42296-74-2)
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
危険有害性情報
DOT LabelFlammable Liquid
Fire Hazards
Excerpt from ERG Guide 130 [Flammable Liquids (Water-Immiscible / Noxious)]:
· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames.
Health Hazards
Excerpt from ERG Guide 130 [Flammable Liquids (Water-Immiscible / Noxious)]:
· May cause toxic effects if inhaled or absorbed through skin.
DOT ID and Guide2458 130
Reactive GroupConjugated Dienes
Reactivity AlertsHighly Flammable
Reactivity Profile
HEXADIENE 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 addition polymerization reactions. May undergo autoxidation upon exposure to the air to form explosive peroxides. Violent explosions at low temperatures in ammonia synthesis units have been traced to the addition products of dienes and nitrogen dioxide [Bretherick, 5th Ed., 1995].
Air and Water ReactionsHighly flammable. Insoluble in water.
安全と保護具
Fire FightingExcerpt from ERG Guide 130 [Flammable Liquids (Water-Immiscible / Noxious)]:
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.
化学と産業
応用分野
一般的な説明A clear colorless liquid with a petroleum-like odor. Flash point below 0°F. Less dense than water and insoluble in water. Hence floats on water. Vapors heavier than air.
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関連反応
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化合物ノート
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