4-tert-Butylcyclohexanone

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Names

[ CAS No. ]:
98-53-3

[ Name ]:
4-tert-Butylcyclohexanone

[Synonym ]:
4-(tert-butyl)cyclohexanone
4-t-Butylcyclohexanone
4-tert-butyl-cyclohexanone
L6VTJ DX1&1&1
4-(tert-butyl)cyclohexan-1-one
4-(2-Methyl-2-propanyl)cyclohexanone
Cyclohexanone, 4-(1,1-dimethylethyl)-
4-tert-butylcyclohexan-1-one
EINECS 202-678-5
Cyclohexanone, 4-tert-butyl-
4-(t-Butyl)cyclohexanone
p-tert-Butylcyclohexanone
MFCD00001642

Chemical & Physical Properties

[ Density]:
0.9±0.1 g/cm3

[ Boiling Point ]:
225.1±0.0 °C at 760 mmHg

[ Melting Point ]:
47-50 °C(lit.)

[ Molecular Formula ]:
C10H18O

[ Molecular Weight ]:
154.249

[ Flash Point ]:
96.1±0.0 °C

[ Exact Mass ]:
154.135757

[ PSA ]:
17.07000

[ LogP ]:
2.48

[ Vapour Pressure ]:
0.1±0.4 mmHg at 25°C

[ Index of Refraction ]:
1.456

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
GW1140000
CHEMICAL NAME :
Cyclohexanone, p-tert-butyl-
CAS REGISTRY NUMBER :
98-53-3
BEILSTEIN REFERENCE NO. :
0507309
LAST UPDATED :
199712
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C10-H18-O
MOLECULAR WEIGHT :
154.28
WISWESSER LINE NOTATION :
L6VTJ DX1&1&1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
5 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 13,729,1975
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
5 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 13,729,1975

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H315-H319-H335

[ Precautionary Statements ]:
P261-P305 + P351 + P338

[ Personal Protective Equipment ]:
dust mask type N95 (US);Eyeshields;Gloves

[ Hazard Codes ]:
Xi:Irritant;

[ Risk Phrases ]:
R36/37/38

[ Safety Phrases ]:
S26-S36

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
2

[ RTECS ]:
GW1140000

[ HS Code ]:
2914299000

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 9-(1,1-dimethylethyl)-1,5-dithiaspiro[5.5]undecane
  • 4-(tert-Butyl)cyclohexanol
  • 9-(1,1-dimethylethyl)-1,5-dioxaspiro[5.5]undecane
  • (4-tert-butylcyclohexyl)oxy-trimethylsilane
  • 4-tert-Butylphenol
  • 4-tert-butylcyclohexanone N,N-dimethylhydrazone
  • 1-Methylene-4β-tert-butylcyclohexane
  • cis-4-tert-Butylcyclohexanol

DownStream

  • 2-bromo-4-tert-butylcyclohexan-1-one
  • TETRAETHYLDIALUMINOXANE
  • 1,1-dibromo-4-tert-butylcyclohexane
  • Cyclohexane,(1,1-dimethylethyl)-
  • trans-4-tert-Butylcyclohexanol
  • cis-4-tert-Butylcyclohexanol
  • 4-tert-butyl-1,1-diethoxycyclohexane
  • 1-tert-butyl-4-ethoxycyclohexane
  • 1-Methylene-4β-tert-butylcyclohexane

Customs

[ HS Code ]: 2914299000

[ Summary ]:
2914299000. other cyclanic, cyclenic or cyclotherpenic ketones without other oxygen function. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:5.5%. General tariff:30.0%

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Related Compounds

  • 4-tert-Butylcyclohexanone
  • 2-methyl-4-tert-butylcyclohexanone
  • 1,1-diethoxy-4-tert-butylcyclohexanone
  • 4-TERT-BUTYLCYCLOHEXANONE SEMICARBAZONE
  • 4-tert-butylcyclohexanone dimethyl ketal
  • trans-2-fluoro-4-tert-butylcyclohexanone
  • Methyl 2-(azepan-1-yl)-4-oxo-3-phenyl-3,4-dihydroquinazoline-7-carboxylate
  • Methyl 2-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxo-3-phenyl-3,4-dihydroquinazoline-7-carboxylate
  • N-(4-fluorobenzyl)-4-[1-methyl-3-(pyrrolidin-1-ylcarbonyl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]-4-oxobutanamide
  • Methyl 4-oxo-3-phenyl-2-[4-(pyridin-2-yl)piperazin-1-yl]-3,4-dihydroquinazoline-7-carboxylate
  • Methyl 2-[butyl(methyl)amino]-4-oxo-3-phenyl-3,4-dihydroquinazoline-7-carboxylate
  • Methyl 2-(4-benzylpiperazin-1-yl)-4-oxo-3-phenyl-3,4-dihydroquinazoline-7-carboxylate
  • Methyl 2-[benzyl(ethyl)amino]-4-oxo-3-phenyl-3,4-dihydroquinazoline-7-carboxylate
  • 2-({6-[4-(3-chlorophenyl)piperazin-1-yl]pyridazin-3-yl}thio)-N-(3,4-difluorophenyl)acetamide
  • Methyl 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-oxo-3-phenyl-3,4-dihydroquinazoline-7-carboxylate
  • 4-(3-{[(4-Chlorophenyl)sulfonyl]methyl}-1,2,4-oxadiazol-5-yl)benzonitrile
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