CAS 869-29-4 3,3-Diacetoxypropene (HCID 61226)

基本情報

CAS: 869-29-4
標準SMILES: C=CC(OC(C)=O)OC(C)=O
InChIKey: TXECTBGVEUDNSL-UHFFFAOYSA-N
分子式: C7H10O4
平均分子量: 158.15 g/mol
単同位体質量: 158.0579088

名称と識別子

優先名称: 3,3-Diacetoxypropene
IUPAC: 1-acetyloxyprop-2-enyl acetate
現地名: 2-プロペン-1-オンジアセチルアセタール
英語名: Allylidene diacetate
分子式: C7H10O4
分子量: 158.15

名称と別名

Allylidene diacetate869-29-4Diacetoxypropene3,3-DiacetoxypropeneAllylidene acetateAcrolein diacetateShell 345Shell SD 3451,1-Diacetoxypropene-2SD 345 (ester)2-Propene-1,1-diol, diacetateCaswell No. 706

名称をさらに表示

アリリデンジアセタート2-プロペン-1-オンジアセチルアセタール2-プロペニリデンジアセタート二酢酸2-プロペン-1,1-ジイルアリリデンジアセテート二酢酸2-プロペニリデン2-プロペン-1,1-ジオールジアセタート二酢酸アリリデン3,3-ジアセトキシ-1-プロペンアクロレインジアセタートアクロレインジアセテ-トジアセトキシプロペンアクロレイン二酢酸アリリデン二酢酸アクロレインジアセタト1-(アセチルオキシ)プロパ-2-エン-1-イルアセタートdiacetoxyshell345shellsd345allylideneacetate

SD-345Allylidene di(acetate)Acrolein, monohydrate, diacetateNSC 7632NSC 450201,1-Diacetoxy-2-propeneEINECS 212-789-05VDZ4FX754

データベース識別子

CAS: 869-29-4
PubChem CID: 61226
DTXSID: DTXSID8041450
UNII: 5VDZ4FX754
EC Number: 212-789-0
Nikkaji: J2.116D

物性

構造計算による物性

XLogP: 0.8
極性表面積: 52.6 Å²
水素結合供与体数: 0
水素結合受容体数: 4
回転可能結合数: 5
重原子数: 11
形式電荷: 0
複雑度: 157

物理化学的性質

融点: -37.6 °C · -37.6°C
沸点: 180 °C · 180°C (estimate)
比重(密度): 1.076 · 1.0760
屈折率: 1.4193 · 1.4193 (estimate)
CAS データベース: 869 · 869-29-4(CAS DataBase Reference)
EPAの化学物質情報: 2 · 2-Propene-1,1-diol diacetate (869-29-4)

安全と法規制

GHS分類

GHS Classification · 6 件

Danger

H300 (100%): Fatal if swallowed [Danger Acute toxicity, oral]；H314 (97.4%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H331 (100%): Toxic if inhaled [Danger Acute toxicity, inhalation]

P260, P261, P264, P270, P271, P280, P301+P316, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

危険有害性情報

Regulatory InformationStatus: Active Update: 04-12-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/24303

Hazard Classes and Categories · 2 件

Acute Tox. 2 (100%)；Skin Corr. 1B (97.4%)；Acute Tox. 3 (100%)

Flammable liquids - Category 4；Acute toxicity (Oral) - Category 2；Acute toxicity (Dermal) - Category 2；Acute toxicity (Inhalation: Vapours) - Category 1

法規制情報

Regulatory InformationStatus: Active Update: 04-12-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/24303

安全データ

ridadr: 2810
risk_code: 36/37/38

化学と産業

調製方法 · 1 件

純化方法Check the NMR spectrum. If it is not satisfactory, then add Ac2O and a drop of conc H2SO4 and heat at 50o for 10minutes. Then add anhydrous NaOAc (ca 3g/ 100g of liquid) and fractionate. Note that it forms an azeotrope with H2O, so do not add H2O at any time. It is a highly flammable and TOXIC liquid; keep away from the skin. [Smith et al. J Am Chem Soc 73 5282 1951, Beilstein 2 H 154, 2 I 72, 2 III 356, 2 IV 291.]

サプライヤー9 社

HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]

厦门盈融达化工有限公司+86-0592-6210733 · [email protected]

郑州艾克姆化工有限公司037163312495 13303845143 · [email protected]

陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]

XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]

化合物ノート

読み込み中…