2-Ethacrolein

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Names

[ CAS No. ]:
922-63-4

[ Name ]:
2-Ethacrolein

[Synonym ]:
MFCD00010129
Butanal, 2-methylene-
2-Ethacrolein
2-Ethylacrolein
EINECS 213-079-3
α-ethylacrolein
2-Methylenebutanal
2-methylidenebutanal

Chemical & Physical Properties

[ Density]:
0.8±0.1 g/cm3

[ Boiling Point ]:
92.5±0.0 °C at 760 mmHg

[ Melting Point ]:
-101.15°C (estimate)

[ Molecular Formula ]:
C5H8O

[ Molecular Weight ]:
84.116

[ Flash Point ]:
1.1±0.0 °C

[ Exact Mass ]:
84.057518

[ PSA ]:
17.07000

[ LogP ]:
1.07

[ Vapour Pressure ]:
51.5±0.1 mmHg at 25°C

[ Index of Refraction ]:
1.399

[ Storage condition ]:
2-8°C

[ Water Solubility ]:
Soluble in alcohol. Insoluble in water.

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
ES3480000
CHEMICAL NAME :
Butyraldehyde, 2-methylene-
CAS REGISTRY NUMBER :
922-63-4
BEILSTEIN REFERENCE NO. :
1098378
LAST UPDATED :
199612
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C5-H8-O
MOLECULAR WEIGHT :
84.13

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
289 ppm/4H
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
TCLo - Lowest published toxic concentration
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
48400 ppb/6H/13W-I
TOXIC EFFECTS :
Lungs, Thorax, or Respiration - changes in lung weight Blood - changes in serum composition (e.g. TP, bilirubin, cholesterol) Related to Chronic Data - changes in ovarian weight

MUTATION DATA

TYPE OF TEST :
Mutation in microorganisms
TEST SYSTEM :
Bacteria - Salmonella typhimurium
DOSE/DURATION :
1 umol/plate
REFERENCE :
MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 264,193,1991

Safety Information

[ Symbol ]:

GHS02, GHS06

[ Signal Word ]:
Danger

[ Hazard Statements ]:
H225-H302 + H312-H330

[ Precautionary Statements ]:
P210-P260-P280-P284-P310

[ Personal Protective Equipment ]:
Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter

[ Hazard Codes ]:
F:Flammable;Xn:Harmful;

[ Risk Phrases ]:
R11;R20/21/22

[ Safety Phrases ]:
S16-S26-S28-S36/37/39

[ RIDADR ]:
UN 3384

[ RTECS ]:
ES3480000

[ Packaging Group ]:
II

[ HS Code ]:
2912190090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Formaldehyde
  • Butyraldehyde
  • Valeraldehyde
  • Dimethylamine hydrochloride
  • Dibutylamine
  • 2-ethyl-3-hydroxypropanal
  • Trimethylol propane
  • 2-Methylene-1-butanol
  • 5-ethyl-5-nitro-1,3-dioxane

DownStream

  • Butanoic acid,2-methylene-
  • Methyl 2-ethylacrylate
  • 2-Pentanol, 3-methyl-
  • 3-Methyl-2-pentanone
  • trans-2-Methyl-2-butenal
  • 3-METHYL-4-OCTANONE
  • Trimethylol propane
  • Di(trimethylolpropane)
  • 3-Ethylquinoline
  • 2-Methylbutanal

Customs

[ HS Code ]: 2912190090

[ Summary ]:
2912190090 acyclic aldehydes without other oxygen function。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:5.5%。General tariff:30.0%

Articles

An efficient approach to Aspidosperma alkaloids via [4 + 2] cycloadditions of aminosiloxydienes: stereocontrolled total synthesis of (+/-)-tabersonine. Gram-scale catalytic asymmetric syntheses of (+)-tabersonine and (+)-16-methoxytabersonine. Asymmetric syntheses of (+)-aspidospermidine and (-)-quebrachamine.

J. Am. Chem. Soc. 124(17) , 4628-41, (2002)

Described is a concise, highly stereocontrolled strategy to the Aspidosperma family of indole alkaloids, one that is readily adapted to the asymmetric synthesis of these compounds. The strategy is dem...

Immunological response from an entirely carbohydrate antigen: design of synthetic vaccines based on Tn-PS A1 conjugates.

J. Am. Chem. Soc. 131(28) , 9622-3, (2009)

An entirely carbohydrate-based immunogen consisting of a zwitterionic polysaccharide (ZPS) PS A1 and the well-known tumor antigen Tn has been designed, synthesized, and studied for immunological effec...

Mutagenicity of 2-methylacrolein, 2-ethylacrolein and 2-propylacrolein in Salmonella typhimurium TA100. A comparative study.

Mutat. Res. 264(4) , 193-6, (1991)

The C2-alkylated acrolein derivatives 2-methylacrolein, 2-ethylacrolein and 2-propylacrolein are mutagenic in Salmonella typhimurium TA100. They are direct mutagens, their mutagenic potency being inve...


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