Butanoic acid, 3-oxo-,butyl ester

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Names

[ CAS No. ]:
591-60-6

[ Name ]:
Butanoic acid, 3-oxo-,butyl ester

[Synonym ]:
Butyl acetoacetate
ethyl-2-ethyl acetoacetate
FEMA No. 2176
Butanoic acid,3-oxo-,butyl ester
Butyl 3-ketobutanoate
Butyl 3-ketobutyrate
n-butyl acetoacetate
acetoacetic acid butyl ester
EINECS 209-722-2
1-butyl acetoacetate
Butyl 3-oxobutyrate
3-oxobutyric acid n-butyl ester
acetoacetic acid n-butyl ester

Chemical & Physical Properties

[ Density]:
0.98

[ Boiling Point ]:
206ºC at 760mmHg

[ Melting Point ]:
230-234 °C (dec.)(lit.)

[ Molecular Formula ]:
C8H14O3

[ Molecular Weight ]:
158.19500

[ Flash Point ]:
85 °C

[ Exact Mass ]:
158.09400

[ PSA ]:
43.37000

[ LogP ]:
1.30880

[ Index of Refraction ]:
1.421

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
AK5100000
CHEMICAL NAME :
Acetoacetic acid, butyl ester
CAS REGISTRY NUMBER :
591-60-6
BEILSTEIN REFERENCE NO. :
1761408
LAST UPDATED :
199806
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C8-H14-O3
MOLECULAR WEIGHT :
158.22
WISWESSER LINE NOTATION :
4OV1V1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
85JCAE "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986 Volume(issue)/page/year: -,729,1986 ** ACUTE TOXICITY DATA **
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
11260 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
AMIHBC AMA Archives of Industrial Hygiene and Occupational Medicine. (Chicago, IL) V.2-10, 1950-54. For publisher information, see AEHLAU. Volume(issue)/page/year: 10,61,1954

Safety Information

[ WGK Germany ]:
3

[ RTECS ]:
AK5100000

[ HS Code ]:
2918300090

Synthetic Route

Click to get detail synthetic route

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

  • butyl 4-chloro-3-oxobutanoate
  • butyl 4-bromo-3-oxobutanoate
  • 2,2-bis(hydroxymethyl)butyl 3-oxobutanoate
  • butyl 2,4-dichloro-3-oxobutyrate
  • UNII:OCR0ONT89C
  • butyl 3-oxobutaneperoxoate
  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 1-(3-nitrophenyl)-3-(3-(trifluoromethyl)phenyl)tetrahydro-1H-thieno[3,4-d]imidazol-2(3H)-one 5,5-dioxide
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • 5-(cyclopentylamino)-1,3,6-trimethylpyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione
  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
  • (4-Methyl-tetrahydro-furan-2-yl)-methanol
  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
  • 4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde
  • tert-Butyl-DL-alanine