Butanoic acid, 3-oxo-,butyl ester

Modify Date: 2024-01-02 22:00:26

Butanoic acid, 3-oxo-,butyl ester Structure
Butanoic acid, 3-oxo-,butyl ester structure
Common Name Butanoic acid, 3-oxo-,butyl ester
CAS Number 591-60-6 Molecular Weight 158.19500
Density 0.98 Boiling Point 206ºC at 760mmHg
Molecular Formula C8H14O3 Melting Point 230-234 °C (dec.)(lit.)
MSDS USA Flash Point 85 °C

 Names

Name butyl 3-oxobutanoate
Synonym More Synonyms

 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

 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

 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%

 Synonyms

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
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