3,3-Diethoxy-1-propene (HCID 62477)

概要

3,3-diethoxypropene appears as a colorless liquid with an agreeable odor. Very volatile. Less dense than water. Vapors heavier than air. Used as a solvent and to make cosmetics.

名称と識別子

優先名称: 3,3-Diethoxy-1-propene
IUPAC: 3,3-diethoxyprop-1-ene
現地名: アクロレインジエチルアセタール
英語名: Acrolein diethyl acetal
分子式: C7H14O2
分子量: 130.18

名称と別名

Acrolein diethyl acetal3054-95-3Acrolein diethylacetalAcrolein acetal3,3-Diethoxy-1-propene1,1-Diethoxy-2-propeneAcrolein, diethyl acetal3,3-DiethoxypropenePropenal diethyl acetalAcrylaldehyde diethyl acetalAcrolein, diethylacetalDTXSID0020024

名称をさらに表示

アクロレインジエチルアセタール3,3-ジエトキシプロペン4-ビニル-3,5-ジオキサヘプタンプロペナールジエチルアセタール3,3-ジエトキシ-1-プロペン1,1-ジエトキシ-2-プロペンアクリルアルデヒドジエチルアセタールアクロレインアセタールアクロレインジエチルアセタールアクロレインジエチルアセタール, 96%3,3-ジエトキシプロパ-1-エン3,3-DIETHOXYPROP-1-ENE1-Propene, 3,3-diethoxy-3 3-DIETHOXYPROPENEAVAC-013ein DiethyLACROLEIN DEAAvacopan Impurity 6ACROLEINDITHYLACETAL

NSC-60135DTXCID002433XN703369PROPENE, 3,3-DIETHOXY-diethoxypropeneAcrylylaldehyde diethyl acetalRefChem:109416221-276-0

データベース識別子

CAS: 3054-95-3
PubChem CID: 62477
DTXSID: DTXSID0020024
ChEMBL: CHEMBL3182978
UNII: 33XN703369
EC Number: 221-276-0
Nikkaji: J83.950G

物性

構造計算による物性

XLogP: 1.4
極性表面積: 18.5 Å²
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: 5
重原子数: 9
形式電荷: 0
複雑度: 65.3

実験および物理化学的性質

Chemical Classes · 2 件

Other Classes -> Acetals

Flammable agents - 3rd degree

SpringerMaterials PropertiesOptical coefficient

Physical Description · 2 件

3,3-diethoxypropene appears as a colorless liquid with an agreeable odor. Very volatile. Less dense than water. Vapors heavier than air. Used as a solvent and to make cosmetics.

Colorless liquid with a pleasant odor; [CAMEO]

物理化学的性質

融点: 120 · 120-124 °C
沸点: 125 °C · 125 °C (lit.)
比重(密度): 0.854 g/mL · 0.854 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.398(lit.)
闪点: 40 °F · 40 °F
貯蔵温度: 2 · 2-8°C
溶解性: Chloroform (Soluble), Ethyl Acetate (Slightly)
外見: 液体
色: 無色透明
水溶解度: 水にわずかに溶ける。
BRN: 1701567 · 1701567
安定性: Light sensitive
InChI: 1S/C7H14O2/c1-4-7(8-5-2)9-6-3/h4,7H,1,5-6H2,2-3H3
InChIKey: MCIPQLOKVXSHTD-UHFFFAOYSA-N
SMILES: CCOC(OCC)C=C
LogP: 1.56 · 1.560
CAS データベース: 3054 · 3054-95-3(CAS DataBase Reference)
NISTの化学物質情報: 1 · 1-Propene, 3,3-diethoxy-(3054-95-3)
EPAの化学物質情報: 1 · 1-Propene, 3,3-diethoxy- (3054-95-3)

化学的性質

化学的特性clear colorless liquid

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P264+P265, P280, P303+P361+P353, P305+P351+P338, P337+P317, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 188 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 2 件

1-Propene, 3,3-diethoxy-: Does not have an individual approval but may be used under an appropriate group standard

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 · 2 件

Excerpt from ERG Guide 127 [Flammable Liquids (Water-Miscible)]:

· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames.

Health Hazards · 2 件

Excerpt from ERG Guide 127 [Flammable Liquids (Water-Miscible)]:

· Inhalation or contact with material may irritate or burn skin and eyes.

Hazards SummaryMay form unstable peroxides on exposure to air; [CAMEO] A strong eye irritant; [Alfa Aesar MSDS]

DOT ID and Guide2374 127

安全と保護具

Fire FightingExcerpt from ERG Guide 127 [Flammable Liquids (Water-Miscible)]:

Accidental Release Measures · 2 件

· 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 · 2 件

Excerpt from ERG Guide 127 [Flammable Liquids (Water-Miscible)]:

General First Aid:

Exposure Control and Personal Protection· Wear positive pressure self-contained breathing apparatus (SCBA).

Nonfire Spill ResponseExcerpt from ERG Guide 127 [Flammable Liquids (Water-Miscible)]:

Isolation and Evacuation · 2 件

Excerpt from ERG Guide 127 [Flammable Liquids (Water-Miscible)]:

Immediate precautionary measure

安全データ

F: 8-13
wgk: 3
rtecs: AS1370000
ridadr: UN 2374
hs_code: 29110000
risk_code: 11-36
消防法: 危-4-1-II
hazard_code: F,Xi
safety_code: 9-16-26-33-29-7/9
hazard_class: 3
packing_group: II
Hazard Classifications: Eye Irrit. 2Flam. Liq. 2
ストレージクラス: 3 - Flammable liquids

化学と産業

用途と製造

UsesUsed as a solvent and to make cosmetics; [CAMEO]

応用分野

使用Acrolein diethyl acetal is a reagent used for the synthesis of a variety of compounds, including cinnamaldehydes.

一般的な説明A colorless liquid with an agreeable odor. Very volatile. Flash point 70°F. Less dense than water. Vapors heavier than air. Used as a solvent and to make cosmetics.

調製方法

純化方法Add Na2CO3 (ca 3.5%) and distil it using an efficient column, or better use a spinning band column. [Witzemann et al. Org Synth Coll Vol II 17 1943, Beilstein 1 H 727, 1 I 378, 1 III 2960, 1 IV 3437.]

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アクロレインジエチルアセタール

基本情報

概要

名称と識別子

名称と別名

データベース識別子

物性

構造計算による物性

実験および物理化学的性質

物理化学的性質

化学的性質

安全と法規制

GHS分類

危険有害性情報

安全と保護具

安全データ

化学と産業

用途と製造

応用分野

調製方法

上流・下流製品情報

下流製品

サプライヤー50 社

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