Butanoic acid, 3-oxo-,cyclohexyl ester
Names
[ CAS No. ]:
6947-02-0
[ Name ]:
Butanoic acid, 3-oxo-,cyclohexyl ester
[Synonym ]:
Cyclohexylacetonacetate
Acetessigsaeure-cyclohexylester
cyclohexane acetoacetate
cyclohexyl-3-oxo butanoate
ACETOACETIC ACID,CYCLOHEXYL ESTER
Cyclohexyl-acetoacetat
EINECS 230-111-1
Cyclohexyl acetoacetate
Chemical & Physical Properties
[ Density]:
1.04g/cm3
[ Boiling Point ]:
258.2ºC at 760 mmHg
[ Molecular Formula ]:
C10H16O3
[ Molecular Weight ]:
184.23200
[ Flash Point ]:
107.7ºC
[ Exact Mass ]:
184.11000
[ PSA ]:
43.37000
[ LogP ]:
1.84140
[ Index of Refraction ]:
1.459
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- AK5150000
- CHEMICAL NAME :
- Acetoacetic acid, cyclohexyl ester
- CAS REGISTRY NUMBER :
- 6947-02-0
- BEILSTEIN REFERENCE NO. :
- 1950710
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 3
- MOLECULAR FORMULA :
- C10-H16-O3
- MOLECULAR WEIGHT :
- 184.26
- WISWESSER LINE NOTATION :
- L6TJ AOV1V1
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 7200 uL/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 93,26,1948
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- >10 mL/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 93,26,1948 ** OTHER MULTIPLE DOSE TOXICITY DATA **
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- 360 mL/kg/13W-I
- TOXIC EFFECTS :
- Behavioral - muscle weakness Nutritional and Gross Metabolic - weight loss or decreased weight gain
- REFERENCE :
- JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 93,26,1948
Safety Information
[ HS Code ]:
2918300090
Synthetic Route
Precursor & DownStream
Precursor
DownStream
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%