Ethylacrolein (HCID 70203)

이름 및 식별자

우선 이름: Ethylacrolein
IUPAC: 2-methylidenebutanal
현지명: 2-에틸아크릴알데히드
영어명: 2-Ethylacrylaldehyde
분자식: C5H8O
분자량: 84.12

이름 및 동의어

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

이름 더 보기

2-에틸아크릴알데히드α-Ethylacrolein2-methylene-butana

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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 1.2
극성 표면적: 17.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 2
무거운 원자 수: 6
형식 전하: 0
복잡도: 64

실험 및 물리화학적 성질

Vapor Pressure36.4 [mmHg]

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

Kovats Retention Index957；974

물리화학적 성질

녹는점: -101.15 °C · -101.15°C (estimate)
끓는 점: 92 · 92-93°C
밀도: 0.859 g/mL · 0.859 g/mL at 25 °C(lit.)
굴절률: 1.425 · 1.425
인화점: 1 °C · 1°C
저장 조건: 2 · 2-8°C
수용성: 알코올에 용해됩니다. 물에 불용성.
BRN: 1098378 · 1098378
LogP: 1.24 · 1.240
NIST: 2 · 2-Ethylacrolein(922-63-4)
EPA: 2 · 2-Ethylpropenal (922-63-4)

안전 및 규제

GHS 분류

GHS Classification · 5건

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.

유해성 정보

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%)

독성 정보

Toxicity DataLC50 (rat) = 289 ppm/4hr

규제 정보

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

안전 데이터

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
포장분류: II
위험 등급: 3

화학 및 산업

응용 분야

용도2-Ethylacrolein has been used in total synthesis of (+/-)-tabersonine, Aspidosperma alkaloid and synthesis of conjugate with bovine serum albumin tethered to Tn.