Ethyl 4-oxopentanoate

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Names

[ CAS No. ]:
539-88-8

[ Name ]:
Ethyl 4-oxopentanoate

[Synonym ]:
MFCD00009209
Pentanoic acid, 4-oxo-, ethyl ester
4-Ketovaleric Acid Ethyl Ester
4-oxovaleric acid ethyl ester
Levulinic Acid Ethyl Ester
3-Acetylpropionic Acid Ethyl Ester
Ethyl 4-oxopentanoate
EINECS 208-728-2
Ethyl levulinate

Chemical & Physical Properties

[ Density]:
1.0±0.1 g/cm3

[ Boiling Point ]:
205.5±0.0 °C at 760 mmHg

[ Molecular Formula ]:
C7H12O3

[ Molecular Weight ]:
144.168

[ Flash Point ]:
90.6±0.0 °C

[ Exact Mass ]:
144.078644

[ PSA ]:
43.37000

[ LogP ]:
0.40

[ Vapour Pressure ]:
0.2±0.4 mmHg at 25°C

[ Index of Refraction ]:
1.416

[ Storage condition ]:
2-8°C

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
OI1700000
CHEMICAL NAME :
Levulinic acid, ethyl ester
CAS REGISTRY NUMBER :
539-88-8
BEILSTEIN REFERENCE NO. :
0507641
LAST UPDATED :
199701
DATA ITEMS CITED :
4
MOLECULAR FORMULA :
C7-H12-O3
MOLECULAR WEIGHT :
144.19

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
FCTOD7 Food and Chemical Toxicology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.20- 1982- Volume(issue)/page/year: 20,679,1982 ** ACUTE TOXICITY DATA **
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
>5 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
FCTOD7 Food and Chemical Toxicology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.20- 1982- Volume(issue)/page/year: 20,679,1982
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
>5 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
FCTOD7 Food and Chemical Toxicology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.20- 1982- Volume(issue)/page/year: 20,679,1982

Safety Information

[ Personal Protective Equipment ]:
Eyeshields;Gloves;half-mask respirator (US);multi-purpose combination respirator cartridge (US)

[ Hazard Codes ]:
Xi

[ Risk Phrases ]:
R36/37/38

[ Safety Phrases ]:
S24/25

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
2

[ RTECS ]:
OI1700000

[ HS Code ]:
29183000

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Ethanol
  • Levulinic acid
  • Glurate
  • Fructose
  • 5-Chloromethylfurfural
  • Furfuryl alcohol
  • 1-tributylstannylpropan-2-one
  • ethyl 2-bromoacetate
  • Nitroethane
  • Ethyl acrylate TOP1 supplier

DownStream

  • lilac lactone
  • allyl levulinate
  • Ethyl 4-methyl-4-pentenoate
  • 2-Cyclopenten-1-one,2-butyl-3-methyl-
  • Ethyl 5-bromo-4-oxopentanoate
  • 1,3-Dioxolane-2-propanoicacid, 2-methyl-, ethyl ester
  • Isopropyl 4-oxopentanoate
  • 5-methyl-5-naphthalen-2-yl-oxolan-2-one
  • (r)-gamma-valerolactone

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%

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Related Compounds

  • 2-(dimethylamino)ethyl 4-oxopentanoate
  • 2-(4-oxopentanoyloxy)ethyl 4-oxopentanoate
  • 2-(4-Methoxy-2,2,6,6-tetramethyl-1-piperidinyl)ethyl 4-oxopentanoate
  • methyl 2-ethyl-4-oxopentanoate
  • ethyl 4-bromo-5-oxopentanoate
  • ethyl 4-hydroxyimino-2-oxopentanoate
  • (2-Amino-2,3-dimethylbutyl)(ethyl)amine
  • 3-(4-amino-2-oxopyrrolidin-1-yl)-N-(2-methylbutan-2-yl)azetidine-1-carboxamide
  • 2-[1-(1-methylcyclopropanecarbonyl)-4,5-dihydro-1H-imidazol-2-yl]ethan-1-amine
  • 3-(Methylsulfanyl)oxolane-3-carboxylic acid
  • (1S)-2-azido-1-(1-methyl-1H-imidazol-4-yl)ethan-1-ol
  • [(3S)-2,2-dimethylpentan-3-yl][(3-iodophenyl)methyl]amine
  • 5-Chloro-6-(diethylamino)pyridine-2-carboxylic acid
  • 1-(5-Amino-decahydroisoquinolin-2-yl)ethan-1-one
  • 2-methyl-N-{octahydro-1H-cyclopenta[c]pyridin-5-yl}propanamide
  • 1-(Cyclopentyloxy)-3-(prop-2-en-1-yl)benzene