Ethylacrolein (HCID 70203)

名称と識別子

優先名称: Ethylacrolein
IUPAC: 2-methylidenebutanal
現地名: 2-エチルアクロレイン
英語名: 2-Ethylacrylaldehyde
分子式: C5H8O
分子量: 84.12

名称と別名

2-Ethylacrolein922-63-42-MethylenebutanalEthacroleinalpha-EthylacroleinEthylacroleinDTXSID1029205RefChem:111231DTXCID309205213-079-32-methylidenebutanal2-Ethylpropenal

名称をさらに表示

α-エチルアクロレイン2-メチレンブチルアルデヒド2-エチルアクリルアルデヒド2-メチレンブタナール2-エチルプロペナールエタクロレイン2-エチルアクロレインエチルアクロレイン2-エチルアクロレイン, TECH., STAB. WITH 50PPM HYDROQUINONE2-エチルアクロレイン, tech., stab. with 50ppm Hydroquinone, 90%2-メチリデンブタナール2-エチル-2-プロペン-1-オンα-Ethylacrolein2-methylene-butana

2-EthylacrylaldehydeButanal, 2-methylene-2-Methylenebutyraldehyde2-EthacroleinMFCD00010129alpha-EthylacrylaldehydeCCRIS 4932EINECS 213-079-3

データベース識別子

CAS: 922-63-4
PubChem CID: 70203
DTXSID: DTXSID1029205
ChEMBL: CHEMBL4085512
EC Number: 213-079-3
Nikkaji: J153.966C

物性

構造計算による物性

XLogP: 1.2
極性表面積: 17.1 Å²
水素結合供与体数: 0
水素結合受容体数: 1
回転可能結合数: 2
重原子数: 6
形式電荷: 0
複雑度: 64

実験および物理化学的性質

Vapor Pressure36.4 [mmHg]

Physical DescriptionColorless liquid with a pungent odor; [Alfa Aesar MSDS]

Kovats Retention Index957；974

物理化学的性質

融点: -101.15 °C · -101.15°C (estimate)
沸点: 92 · 92-93°C
比重(密度): 0.859 g/mL · 0.859 g/mL at 25 °C(lit.)
屈折率: 1.425 · 1.425
闪点: 1 °C · 1°C
貯蔵温度: 2 · 2-8°C
水溶解度: アルコールに可溶。水に不溶。
BRN: 1098378 · 1098378
LogP: 1.24 · 1.240
CAS データベース: 922 · 922-63-4
NISTの化学物質情報: 2 · 2-Ethylacrolein(922-63-4)
EPAの化学物質情報: 2 · 2-Ethylpropenal (922-63-4)

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]；H302 (90.9%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (90.9%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H330 (100%): Fatal if inhaled [Danger Acute toxicity, inhalation]

P210, P233, P240, P241, P242, P243, P260, P264, P270, P271, P280, P284, P301+P317, P302+P352, P303+P361+P353, P304+P340, P316, P317, P320, P321, P330, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 3 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 InformationButanal, 2-methylene-: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryCauses changes in lung weight in 13-week intermittent inhalation studies of rats; [RTECS] A skin and strong eye irritant; Toxic by inhalation; [Alfa Aesar MSDS]

Hazard Classes and CategoriesFlam. Liq. 2 (100%)；Acute Tox. 4 (90.9%)；Acute Tox. 4 (90.9%)；Acute Tox. 2 (100%)

毒性情報

Toxicity DataLC50 (rat) = 289 ppm/4hr

法規制情報

Regulatory InformationButanal, 2-methylene-: Does not have an individual approval but may be used under an appropriate group standard

安全データ

wgk: 3
rtecs: ES3480000
ridadr: 1992
risk_code: 11-20/21/22-36/37/38
hazard_code: F,Xn
safety_code: 16-26-36/37/39-28
hazard_class: 3
packing_group: II

化学と産業

応用分野

使用2-Ethylacrolein has been used in total synthesis of (+/-)-tabersonine, Aspidosperma alkaloid and synthesis of conjugate with bovine serum albumin tethered to Tn.