Butanoic acid, 3-oxo-,cyclohexyl ester

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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

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Ethyl acetoacetate
  • Cyclohexanol
  • Methyl acetoacetate
  • Diketene
  • 2,2,6-Trimethyl-4H-1,3-dioxin-4-one
  • Acetic acid, 2-bromo-,cyclohexyl ester
  • s-tert-butyl acetothioacetate
  • S-phenyl 3-oxobutanethioate
  • Boc-Sar-Sar-OMe

DownStream

  • 2-Methyl-1H-benzo[d]imidazole
  • cyclohexyl (3E)-3-[(6-chloropyridazin-3-yl)hydrazinylidene]butanoate
  • cyclohexyl 2-[(2-nitrophenyl)methylidene]-3-oxobutanoate
  • 1-cyclohexyloxy-2-diazonioethenolate

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%

Related Compounds

  • Acetoacetic acid 1-isopropylcyclohexyl ester
  • (1-methylcyclohexyl) 3-oxobutanoate
  • Butanoic acid,3-oxo-,heptyl ester
  • Butanoic acid, 3-oxo-,octadecyl ester
  • Butanoic acid,3-oxo-,pentyl ester
  • Butanoic acid, 3-oxo-,methylene ester (9CI)
  • 4-(3-bromopyridin-2-yl)-N-methylmorpholine-2-carboxamide
  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 2-{1-[2-(Pyrrolidin-1-yl)phenyl]cyclopropyl}propan-2-amine
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
  • rac-3-(2-{[(1R,3S)-3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)cyclopentyl]formamido}ethoxy)propanoic acid
  • (4-Methyl-tetrahydro-furan-2-yl)-methanol
  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
  • 4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde