2-Ethylacrylaldehyd

Ethylacrolein

HCID 70203CAS 922-63-4

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Grundinformationen

Standard-SMILES: C=C(C=O)CC
InChIKey: GMLDCZYTIPCVMO-UHFFFAOYSA-N
Summenformel: C5H8O
Durchschnittliche Molmasse: 84,12 g/mol
Monoisotopische Masse: 84,05751487

Namen und Bezeichner

Bevorzugter Name: Ethylacrolein
IUPAC: 2-methylidenebutanal
Lokaler Name: 2-Ethylacrylaldehyd
Englischer Name: 2-Ethylacrylaldehyde
Summenformel: C5H8O
Molmasse: 84.12

Namen und Synonyme

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

Weitere Namen anzeigen

α-Ethylacrolein2-methylene-butana

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

Datenbank-Bezeichner

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

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,2
Polarare Oberfläche (TPSA): 17,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 2
Schwere Atome: 6
Formalladung: 0
Komplexität: 64

Experimentelle und physikochemische Eigenschaften

Vapor Pressure36.4 [mmHg]

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

Kovats Retention Index957；974

Physikochemische Eigenschaften

Schmelzpunkt: -101.15 °C · -101.15°C (estimate)
Siedepunkt: 92 · 92-93°C
Dichte: 0.859 g/mL · 0.859 g/mL at 25 °C(lit.)
Brechungsindex: 1.425 · 1.425
Flammpunkt: 1 °C · 1°C
storage temp.: 2 · 2-8°C
Wasserlöslichkeit: Soluble in alcohol. Insoluble in water.
BRN: 1098378 · 1098378
LogP: 1.24 · 1.240
CAS Datenbank: 922 · 922-63-4
NIST chemische Informationen: 2 · 2-Ethylacrolein(922-63-4)
EPA chemische Informationen: 2 · 2-Ethylpropenal (922-63-4)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

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.

Gefahrenhinweise

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%)

Toxikologische Informationen

Toxicity DataLC50 (rat) = 289 ppm/4hr

Regulatorische Informationen

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

Sicherheitsdaten

wgk: 3
ridadr: 1992
RTECS-Nr.: ES3480000
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

Chemie und Industrie

Anwendungen

Verwenden2-Ethylacrolein has been used in total synthesis of (+/-)-tabersonine, Aspidosperma alkaloid and synthesis of conjugate with bovine serum albumin tethered to Tn.