CAS 922-63-4 Ethylacrolein (HCID 70203)

Names & identifiers

Preferred name: Ethylacrolein
IUPAC: 2-methylidenebutanal
English name: 2-Ethylacrylaldehyde
Molecular formula: C5H8O
Molecular weight: 84.12

Names & synonyms

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

Show more names

α-Ethylacrolein2-methylene-butana

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

Database identifiers

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

Properties

Computed structural properties

XLogP: 1.2
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 6
Formal charge: 0
Complexity: 64

Experimental & physicochemical properties

Vapor Pressure36.4 [mmHg]

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

Kovats Retention Index957；974

Physicochemical properties

Melting point: -101.15 °C · -101.15°C (estimate)
Boiling point: 92 · 92-93°C
Density: 0.859 g/mL · 0.859 g/mL at 25 °C(lit.)
refractive index: 1.425 · 1.425
Flash point: 1 °C · 1°C
storage temp.: 2 · 2-8°C
Water Solubility: Soluble in alcohol. Insoluble in water.
Sensitive: Air Sensitive
BRN: 1098378 · 1098378
LogP: 1.24 · 1.240
CAS DataBase Reference: 922 · 922-63-4
NIST Chemistry Reference: 2 · 2-Ethylacrolein(922-63-4)
EPA Substance Registry System: 2 · 2-Ethylpropenal (922-63-4)
Symbol(GHS): 2 · GHS02,GHS06
Signal word: Danger
Hazard statements: 225 · H225-H302+H312-H330
Precautionary statements: 210 · P210-P233-P280-P301+P312-P303+P361+P353-P304+P340+P310
Hazard Codes: F,Xn
Risk Statements: 11 · 11-20/21/22-36/37/38
Safety Statements: 16 · 16-26-36/37/39-28
RIDADR: 1992 · 1992
WGK Germany: 3 · 3
RTECS: 3480000 · ES3480000
HazardClass: 3 · 3
PackingGroup: II

Safety & regulation

GHS classification

GHS Classification · 5 items

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.

Hazard information

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%)

Toxicology

Toxicity DataLC50 (rat) = 289 ppm/4hr

Regulatory information

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

Safety data

wgk: 3
rtecs: ES3480000
ridadr: 1992
risk_code: 11-20/21/22-36/37/38
Signal word: Danger
Symbol(GHS): GHS02,GHS06
hazard_code: F,Xn
safety_code: 16-26-36/37/39-28
hazard_class: 3
packing_group: II
Hazard statements: H225-H302+H312-H330
Precautionary statements: P210-P233-P280-P301+P312-P303+P361+P353-P304+P340+P310

Chemistry & industry

Applications

Uses2-Ethylacrolein has been used in total synthesis of (+/-)-tabersonine, Aspidosperma alkaloid and synthesis of conjugate with bovine serum albumin tethered to Tn.