Butanoic acid, 3-oxo-,butyl ester

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%