4-Oxopent-2-enoic acid

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Names

[ CAS No. ]:
4743-82-2

[ Name ]:
4-Oxopent-2-enoic acid

[Synonym ]:
4-ketopentenicacid
4-Ketopentenoic acid
3-Acetylacrylic acid
Acetacrylsaeure
4-OXOPENT-2-ENOIC ACID
EINECS 225-256-2
dehydrolevulinic acid
3-acetyl acrylic acid
ACETYL ACRYLIC ACID
MFCD00014016
4-Oxo-2-pentenoic acid
4-oxo-2-pentenoicaci

Chemical & Physical Properties

[ Density]:
1.183g/cm3

[ Boiling Point ]:
269.7ºC at 760 mmHg

[ Melting Point ]:
123-124ºC

[ Molecular Formula ]:
C5H6O3

[ Molecular Weight ]:
114.09900

[ Flash Point ]:
131.2ºC

[ Exact Mass ]:
114.03200

[ PSA ]:
54.37000

[ LogP ]:
0.21620

[ Index of Refraction ]:
1.469

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
SB3360000
CHEMICAL NAME :
2-Pentenoic acid, 4-oxo-
CAS REGISTRY NUMBER :
4743-82-2
BEILSTEIN REFERENCE NO. :
1745249
LAST UPDATED :
199712
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C5-H6-O3
MOLECULAR WEIGHT :
114.11
WISWESSER LINE NOTATION :
QV1U1V1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
115 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
ZolH## Personal Communication from H. Zollner, Institut fur Biochemie, Der Universitat, Gras, Oct. 23, 1975 Volume(issue)/page/year: 23OCT1975

Safety Information

[ Hazard Codes ]:
Xi

[ Risk Phrases ]:
R36/37/38

[ Safety Phrases ]:
S26-S36

[ HS Code ]:
2918300090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 3-bromo-4-oxopentanoic acid
  • 2-chloro-2,3-dimethoxy-1,4-dioxane
  • Levulinic acid
  • 1,2,4-Trihydroxybenzene
  • acetic acid
  • Protoanemonin
  • 2-Pentanone,5,5,5-trichloro-4-hydroxy-
  • 4-Methyl-2-nitrophenol
  • 5-Methyl-2-furaldehyde

DownStream

  • Methyl Acetylacrylate
  • Levulinic acid
  • Pentanoic acid
  • Ethyl 4-oxopentanoate
  • N-hexane
  • L-Cystine
  • Protoanemonin
  • (E)-4-(4-dimethylaminophenyl)but-3-en-2-one
  • 5-Aminolevulinic acid hydrochloride

Customs

[ HS Code ]: 2918300090

[ Summary ]:
2918300090 other carboxylic acids with aldehyde or ketone function but without other oxygen function, their anhydrides, halides, peroxides, peroxyacids and their derivatives。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:30.0%

Related Compounds

  • (2R)-2-(cyclohexylmethyl)-3,6-diethoxy-2,5-dihydropyrazine
  • 3-Ethylpyrrolidine-3-carbaldehyde
  • 5-Sulfanyl-1,2,5,6,7,8-hexahydroquinolin-2-one
  • 4-Sulfanyl-1lambda6-thiepane-1,1-dione
  • (2S)-2-[(2S)-3-cyclopropyl-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)propanamido]propanoic acid
  • rac-(1R,6R)-2-oxabicyclo[4.2.0]octane-7-thiol
  • 2-cyclopropyl-2-{[(3S)-3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)pentanamido]oxy}acetic acid
  • 5,5-Dimethylspiro[3.3]heptan-1-one
  • (3S)-3-amino-3-(2-methoxy-1,3-thiazol-5-yl)propanamide
  • [1-(Thiolan-2-yl)cyclopropyl]methanol