3,4-ジヒドロ-2H-ピラン-2-カルボアルデヒド
Acrolein dimer
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基本情報
- CAS
100-73-2- 標準SMILES
O=CC1CCC=CO1- InChIKey
NPWYTMFWRRIFLK-UHFFFAOYSA-N- 分子式
- C6H8O2
- 平均分子量
- 112.13 g/mol
- 単同位体質量
- 112.0524295
概要
Acrolein dimer, stabilized appears as a colorless or yellow liquid with a pungent disagreeable odor. May be irritating to the eyes and mucous membranes; long-term exposure may result in adverse health effects. Vapors denser than air. Used to make other chemicals, plastics.
名称と識別子
- 優先名称
- Acrolein dimer
- IUPAC
- 3,4-dihydro-2H-pyran-2-carbaldehyde
- 現地名
- 3,4-ジヒドロ-2H-ピラン-2-カルボアルデヒド
- 英語名
- 2-Formyl-3,4-dihydro-2H-pyran
- 分子式
- C6H8O2
- 分子量
- 112.13
名称と別名
3,4-Dihydro-2H-pyran-2-carbaldehydeAcrolein dimer2-Propenal dimer3,4-Dihydro-2H-pyran-2-carboxaldehyde2H-PYRAN-2-CARBOXALDEHYDE, 3,4-DIHYDRO-NSC 954132,3-Dihydro-1,4-pyran-2-karboxaldehydEINECS 202-884-549SA3RBS5HUN2607BRN 0107244NSC-95413
名称をさらに表示
2,6-エポキシ-5-ヘキセナール3,4-ジヒドロ-2H-ピラン-2-カルボアルデヒドアクロレイン二量体2-プロペナール二量体アクロレインダイマーアクロレイン ダイマー3,4-ジヒドロ-2H-ピラン-2-カルブアルデヒド3,4-ジヒドロ-2H-ピラン-2-カルバルデヒドMT-A4AcroleindimerPyranaldehyde2,6-epoxy-5-hexena2,6-epoxy-5-Hexenalacrylaldehyde dimer5-Hexenal, 2,6-epoxy-2-formyl-2,3-dihydropyran
Acrolein dimer, stabilized2,3-Dihydro-1,4-pyran-2-karboxaldehyd [Czech]UNII-49SA3RBS5HUN 2607 (Salt/Mix)DTXSID302741515-17-09-00131 (Beilstein Handbook Reference)3,4-Dihydro-2-carboxaldehyde-2H-pyranACROLEIN DIMER, (STABILIZED)
データベース識別子
- CAS
100-73-2- PubChem CID
- 60994
- DTXSID
DTXSID30274151- UNII
- 49SA3RBS5H
- EC Number
- 202-884-5
- Nikkaji
- J21.552J
物性
構造計算による物性補完中
- XLogP
- 0.7
- 極性表面積
- 26.3 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 2
- 回転可能結合数
- 1
- 重原子数
- 8
- 形式電荷
- 0
- 複雑度
- 107
実験および物理化学的性質
Chemical Classes
Other Classes -> Other Organic Compounds
Flammable agents - 2nd degree
Flash Point118 °F (NFPA, 2010)
Physical Description
Acrolein dimer, stabilized appears as a colorless or yellow liquid with a pungent disagreeable odor. May be irritating to the eyes and mucous membranes; long-term exposure may result in adverse health effects. Vapors denser than air. Used to make other chemicals, plastics.
Colorless or yellow liquid with a pungent unpleasant odor; [CAMEO] Clear colorless liquid; [Sigma-Aldrich MSDS]
物理化学的性質
- 融点
- -99.9 °C · -99.9°C
- 沸点
- 146 °C · 146 °C(lit.)
- 比重(密度)
- 1.08 g/mL · 1.08 g/mL at 25 °C
- 屈折率
- 20 · n20/D 1.466(lit.)
- 闪点
- 54 °C · 54 °C
- LogP
- -0.388 · -0.388 (est)
- CAS データベース
- 100 · 100-73-2(CAS DataBase Reference)
- NISTの化学物質情報
- Acrolein dimer(100-73-2)
- EPAの化学物質情報
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
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 79 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory Information
Chemical: 2H-Pyran-2-carboxaldehyde, 3,4-dihydro-
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
2H-Pyran-2-carboxaldehyde, 3,4-dihydro-: HSNO Approval: HSR001240 Approved with controls
The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)
DOT LabelFlammable Liquid
Fire Hazards
Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious); polymerization hazard]:
· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames.
Health Hazards
Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious); polymerization hazard]:
· May cause toxic effects if inhaled or absorbed through skin.
Hazards Summary
A mild skin irritant; Causes respiratory depression and lung changes in inhalation lethal-concentration studies of rats; Causes changes in bladder weight, changes in platelet count, and effects on other proteins in 9-day intermittent inhalation studies of rats; [RTECS] May cause eye and mucous membrane irritation; [CAMEO] May polymerize; An irritant that may cause serious eye injury; Harmful by ingestion, inhalation, and skin absorption; Inhalation of high concentrations may cause weakness, dizziness, and unconsciousness; [Sigma-Aldrich MSDS] Acrolein dimer, stabilized (UN2607) has warning of explosive polymerization; [ERG 2016]
化学と産業
用途と製造
UsesUsed to make other chemicals and plastics; [CAMEO]
General Manufacturing Information2H-Pyran-2-carboxaldehyde, 3,4-dihydro-: ACTIVE
応用分野
使用NSC 95413 is used as a reagent in chemical processes.
一般的な説明A colorless or yellow liquid with a pungent disagreeable odor. Flash point 118°F. Density 1.077 g / cm3 (8.96 lb / gal). May be irritating to the eyes and mucous membranes; long-term exposure may result in adverse health effects. Vapors denser than air. Used to make other chemicals, plastics.
上流・下流製品情報
上流原料
関連反応
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