Butanoic acid, 3-oxo-,cyclohexyl ester

Modify Date: 2024-01-02 17:58:46

Butanoic acid, 3-oxo-,cyclohexyl ester Structure
Butanoic acid, 3-oxo-,cyclohexyl ester structure
Common Name Butanoic acid, 3-oxo-,cyclohexyl ester
CAS Number 6947-02-0 Molecular Weight 184.23200
Density 1.04g/cm3 Boiling Point 258.2ºC at 760 mmHg
Molecular Formula C10H16O3 Melting Point N/A
MSDS N/A Flash Point 107.7ºC

 Names

Name cyclohexyl 3-oxobutanoate
Synonym More Synonyms

 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

 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

Cyclohexylacetonacetate
Acetessigsaeure-cyclohexylester
cyclohexane acetoacetate
cyclohexyl-3-oxo butanoate
ACETOACETIC ACID,CYCLOHEXYL ESTER
Cyclohexyl-acetoacetat
EINECS 230-111-1
Cyclohexyl acetoacetate