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Cas Database |
| Name |
Butyl acetoacetate |
EINECS | N/A |
| CAS No. | 591-60-6 | Density | 0.981g/cm3 |
| PSA | 43.37000 | LogP | 1.30880 |
| Solubility | N/A | Melting Point |
230-234°C (dec.)(lit.) |
| Formula | C8H14 O3 | Boiling Point | 206°Cat760mmHg |
| Molecular Weight | 158.197 | Flash Point | 79.6°C |
| Transport Information | N/A | Appearance | Slightly Pink Solid |
| Safety | Mildly toxic by ingestion. A skin and eye irritant. See also ESTERS. Flammable. To fight fire, use alcohol foam, CO2, dry chemical. When heated to decomposition it emits acrid and irritating fumes. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Acetoaceticacid, butyl ester (6CI,7CI,8CI); 3-Oxobutanoic acid butyl ester; Butyl3-oxobutanoate; Butyl 3-oxobutyrate; Butyl acetoacetate; NSC 97211; n-Butylacetoacetate |
Article Data | 71 |
Butyl acetoacetate Chemical Properties
Butyl acetoacetate ,its CAS register number is 591-60-6,it's called for 3-oxo-butanoicacibutylester ; Acetoaceticacid,butylester ; Butyl3-oxobutyrate ; Butylesterkyselinyacetoctove ; FEMA 2176 ; Butyl 3-oxobutanoate ; Acetoacetic acid N-Butyl ester ; Butanoic acid, 3-oxo-, butyl ester ; Butylester kyseliny acetoctove ; WLN: 4OV1V1 ,and so on.
IUPAC Name: Butyl 3-oxobutanoate
CAS: 591-60-6
Molecular Formula: C8H14O3
Molecular Weight: 158.19
Molecular structure:
EINECS: 209-722-2
ACD/LogD (pH 5.5): 1.78
ACD/LogD (pH 7.4): 1.78
ACD/BCF (pH 5.5): 13.24
ACD/BCF (pH 7.4): 13.23
ACD/KOC (pH 5.5): 221.14
ACD/KOC (pH 7.4): 221.02
H bond acceptors: 3
H bond donors: 0
Freely Rotating Bonds: 6
Index of Refraction: 1.421
Molar Refractivity: 40.91 cm3
Molar Volume: 161.1 cm3
Polarizability: 16.22 10-24cm3
Surface Tension: 30.9 dyne/cm
Density: 0.981 g/cm3
Flash Point: 79.6 °C
Enthalpy of Vaporization: 44.22 kJ/mol
Boiling Point: 206 °C at 760 mmHg
Vapour Pressure: 0.243 mmHg at 25°C
Butyl acetoacetate Uses
Butyl acetoacetate (CAS No.591-60-6) is commonly used for organic synthesis.
Butyl acetoacetate Toxicity Data With Reference
| 1. | skn-rbt 500 mg/24H MLD | 85JCAE Prehled Prumyslove Toxikologie; Organicke Latky Marhold, J.,Prague,Czechoslovakia, Avicenum.: 1986,729. | ||
| 2. | eye-rbt 500 mg open | AMIHBC AMA Archives of Industrial Hygiene and Occupational Medicine. 10 (1954),61. | ||
| 3. | orl-rat LD50:11,260 mg/kg | AMIHBC AMA Archives of Industrial Hygiene and Occupational Medicine. 10 (1954),61. |
RTECS: AK5100000
Butyl acetoacetate Consensus Reports
Reported in EPA TSCA Inventory.
Butyl acetoacetate Safety Profile
Butyl acetoacetate (CAS No.591-60-6) is mildly toxic by ingestion. A skin and eye irritant. Flammable. To fight fire, use alcohol foam, CO2, dry chemical. When heated to decomposition it emits acrid and irritating fumes.
Butyl acetoacetate Specification
Removal in wastewater treatment of Butyl acetoacetate (CAS No.591-60-6) can be stated as follows:
Total removal:1.89 percent
Total biodegradation:0.09 percent
Total sludge adsorption:1.78 percent
Total to Air:0.02 percent
(using 10000 hr Bio P,A,S)
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