基本情報
- 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
名称をさらに表示
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
- 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
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
- 2 H-Pyran-2-carboxaldehyde, · 2H-Pyran-2-carboxaldehyde, 3,4-dihydro- (100-73-2)
化学的性質
化学的特性Colorless viscous liquid
安全と法規制
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.)
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]
Reactivity Profile
Aldehydes are frequently involved in self-condensation or polymerization reactions. These reactions are exothermic; they are often catalyzed by acid. Aldehydes are readily oxidized to give carboxylic acids. Flammable and/or toxic gases are generated by the combination of aldehydes with azo, diazo compounds, dithiocarbamates, nitrides, and strong reducing agents. Aldehydes can react with air to give first peroxo acids, and ultimately carboxylic acids. These autoxidation reactions are activated by light, catalyzed by salts of transition metals, and are autocatalytic (catalyzed by the products of the reaction). The addition of stabilizers (antioxidants) to shipments of aldehydes retards autoxidation.
DOT Hazard Classification
Acrolein dimer, stabilized
UN2607
Class 3 Flammable and combustible liquid (49 eCFR § 173.120)
PG III: the degree of danger presented by the material is minor
Hazard Classes and Categories
Flam. Liq. 3 (100%)
Flammable agents - 2nd degree, Reactive agents - 1st degree
安全と保護具
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.
· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area.
First Aid
Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious); polymerization hazard]:
General First Aid:
Isolation and Evacuation
Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious); polymerization hazard]:
Immediate precautionary measure
毒性情報
安全データ
- tsca
- TSCA listed
- rtecs
- UP6825000
- ridadr
- UN 2607
- risk_code
- 10-20/21/22-36/37/38-41
- hazard_code
- Xn
- safety_code
- 16-26-33-36/37/39-45
- hazard_class
- 3
- packing_group
- III
化学と産業
用途と製造
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.
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下流製品
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