1,7-オクタジエン
1,7-Octadiene
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基本情報
- CAS
3710-30-3- 標準SMILES
C=CCCCCC=C- InChIKey
XWJBRBSPAODJER-UHFFFAOYSA-N- 分子式
- C8H14
- 平均分子量
- 110.2 g/mol
- 単同位体質量
- 110.10955045
概要
1,7-octadiene is an alkadiene that is octane carrying two double bonds at positions 1 and 7.
名称と識別子
- 優先名称
- 1,7-Octadiene
- IUPAC
- octa-1,7-diene
- 現地名
- 1,7-オクタジエン
- 英語名
- 1,7-Octadiene
- 分子式
- C8H14
- 分子量
- 110.2
名称と別名
1,7-OCTADIENE3710-30-3alpha,omega-OctadieneN4H29T34J2NSC-82324DTXSID6063147CHEBI:183652RefChem:6714DTXCID8039293223-054-9Octa-1,7-diene.alpha.,.omega.-Octadiene
名称をさらに表示
1,7-オクタジエンオクタ-1,7-ジエン１，７－オクダジエンオクタジエン1,7‐オクタジエン1,7-オクタジエン, 97%Octadiene-1,7α,ω-octadieneOcta-1,7-dien1,7-Octadiene>1,7-Octadiene 98%1,7-Octadiene,97%1,7-OCTADIENE 98+%
MFCD0000866826374-83-4EINECS 223-054-9NSC 82324BRN 0605288UNII-N4H29T34J2AI3-2800017-Octadiene
データベース識別子
- CAS
3710-30-3- PubChem CID
- 19460
- DTXSID
DTXSID6063147- ChEBI
CHEBI:183652- UNII
- N4H29T34J2
- EC Number
- 223-054-9
- Nikkaji
- J21.020J
物性
構造計算による物性補完中
- XLogP
- 3.5
- 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
- 5
- 重原子数
- 8
- 形式電荷
- 0
- 複雑度
- 52.4
実験および物理化学的性質
Chemical ClassesOther Classes -> Aliphatics, Unsaturated
SpringerMaterials PropertiesBoiling point
SolubilitySolubility in water: none
Flash Point9 °C
Boiling Point114-121 °C
Melting Point-70 °C
Vapor Pressure15.0 [mmHg]
Physical Description
Colorless liquid; [ICSC] Colorless liquid with a strong odor; [Alfa Aesar MSDS]
COLOURLESS LIQUID.
Autoignition Temperature230 °C
物理化学的性質
- 融点
- -70 °C · -70 °C
- 沸点
- 114 · 114-121 °C(lit.)
- 比重(密度)
- 0.746 g/mL · 0.746 g/mL at 25 °C(lit.)
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。
GHS分類
GHS Classification
Danger
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P273, P280, P301+P316, P303+P361+P353, P331, P370+P378, P391, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 116 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Danger
H225: Highly Flammable liquid and vapor [Danger Flammable liquids]
危険有害性情報
Regulatory Information
Chemical: 1,7-Octadiene
Regulation (EC) No 1935/2004 (amended)
REACH registered substance: Octa-1,7-diene (EC: 223-054-9)
1,7-Octadiene: Does not have an individual approval but may be used under an appropriate group standard
Fire HazardsHighly flammable. Vapour/air mixtures are explosive.
Hazards Summary
Dermal LD50 (rabbit) = 14,100 uL/kg; Oral LD50 (rat) = 19,700 uL/kg; [RTECS] A skin, eye, and respiratory tract irritant; [ICSC] A mild skin irritant; Harmful by ingestion (may cause lung damage by aspiration); [Alfa Aesar MSDS] Octadiene (UN2309) has warning of explosive polymerization. [ERG 2016] See 1,4-Hexadiene.
UN ClassificationUN Hazard Class: 3; UN Pack Group: II
Chemical DangersReacts with oxidants.
Hazard Classes and Categories
Flam. Liq. 2 (100%)
Flammable liquids - Category 2
Explosive Limits and PotentialExplosive limits , vol% in air:
化学と産業
用途と製造
UsesUsed in organic synthesis; [ExPub: EPA - TSCATS] Used as a monomer, polymer crosslinking agent, intermediate, and in scientific research and development; [ExPub: ECHA REACH Registrations]
General Manufacturing Information1,7-Octadiene: ACTIVE
応用分野
用途有機合成中間体
使用1,7-Octadiene is used in organic synthesis. It is also used to study and assess the structure and reaction rate in olefin ring-closing metathesis of a series of simple dienes. Further, it is used in a study to investigate micropatterned surfaces prepared by plasma polymerization. It acts as a crosslinker as well as a source of ethylene in cross-enyne metathesis (CEYM)-related reactions.
一般的な説明1,7-Octadiene can serve as a crosslinker and source of ethylene for a variant of Mori′s conditions in CEYM-related reactions.
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上流原料
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