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Home > Products >  China Biggest Factory & Manufacturer supply 4-Tert-Butylcyclohexanone 600MT/Year

China Biggest Factory & Manufacturer supply 4-Tert-Butylcyclohexanone 600MT/Year CAS NO.98-53-3

  • FOB Price: USD: 1.00-2.00 /Kilogram Get Latest Price
  • Min.Order: 500 Kilogram
  • Payment Terms: L/C,D/A,D/P,T/T,Other
  • Available Specifications:

    AAAAA(50-100)KilogramAAAAA(100-500)Kilogram

  • Product Details

Keywords

  • 4-Tert-Butylcyclohexanone
  • 98-53-3
  • 4-Tert-Butylcyclohexanone

Quick Details

  • ProName: China Biggest Factory & Manufacturer s...
  • CasNo: 98-53-3
  • Molecular Formula: Moxifloxacin Hydrochloride
  • Appearance: white powder
  • Application: chemicals industry
  • DeliveryTime: 3-5 days
  • PackAge: 25KG/Drum
  • Port: Shanghai Guangzhou Qingdao Shenzhen
  • ProductionCapacity: 50 Metric Ton/Month
  • Purity: 99%
  • Storage: 2-8°C
  • Transportation: By air /Sea/ coruier
  • LimitNum: 500 Kilogram
  • Color: white
  • Melting point: ≥350°C
  • Boiling point: 363.24°C (rough estimate)
  • density: 1.667
  • solubility: 1 M NaOH: 10 mg/mL, dark green
  • Water Solubility: <0.1 g/100 mL at 21 oC
  • Stability: Stable. Combustible. Incompatible with...

Superiority

4-tert-Butylcyclohexanone Basic information
Product Name: 4-tert-Butylcyclohexanone
Synonyms: 98-53-3;4-tert-Butylcyclohexanone, 99% 100GR;4-TERT-BUTYLCYCLOHEXANONE;P-TERT-BUTYLCYCLOHEXANONE;PARA TERTIARY BUTYL CYCLOHEXANONE;TIMTEC-BB SBB007656;4CO;AKOS BBS-00000687
CAS: 98-53-3
MF: C10H18O
MW: 154.25
EINECS: 202-678-5
Product Categories: Halogenated Heterocycles ,Pyrimidines;Carbonyl Compounds;Liquid Crystal intermediates;C10;Ketones
Mol File: 98-53-3.mol
4-tert-Butylcyclohexanone Structure
 
4-tert-Butylcyclohexanone Chemical Properties
Melting point  47-50 °C (lit.)
Boiling point  113-116 °C/20 mmHg (lit.)
density  0.893
refractive index  1.4570 (estimate)
Fp  205 °F
storage temp.  Sealed in dry,Room Temperature
solubility  Chloroform (Slightly), Methanol (Slightly)
form  Crystalline Powder
color  White to almost white
Water Solubility  Soluble in alcohol, ethanol (0.5g/10 mL). Insoluble in water.
BRN  507309
InChIKey YKFKEYKJGVSEIX-UHFFFAOYSA-N
CAS DataBase Reference 98-53-3(CAS DataBase Reference)
NIST Chemistry Reference Cyclohexanone, 4-(1,1-dimethylethyl)-(98-53-3)
EPA Substance Registry System Cyclohexanone, 4-(1,1-dimethylethyl)- (98-53-3)
 
Safety Information
Hazard Codes  Xi
Risk Statements  36/37/38
Safety Statements  26-36
WGK Germany  2
RTECS  GW1140000
TSCA  Yes
HS Code  29142990
toxicity Both the acute oral LD50 value in rats and the acute dermal LD50 value in rabbits were reported to be 5 g/kg
MSDS Information
Provider Language
SigmaAldrich English
ACROS English
ALFA English
 
4-tert-Butylcyclohexanone Usage And Synthesis
Chemical Properties WHITE TO ALMOST WHITE CRYSTALLINE POWDER
Occurrence Has apparently not been reported to occur in nature.
Uses 4-tert-Butylcyclohexanone is used as a perfuming agents and in cosmetic.
Preparation By hydrogenation of p-ferr-butylphenol. Care must be taken that no free p-tert-butylphenol remains, because it is a sensitizer and depigmenting agent(Opdyke, 1974).
Preparation N-Chlorosuccinimide (NCS) (8.0 g, 0.060 mol) and toluene (200 mL) were cooled to 0 C° in a 1-L, threenecked, round-bottomed flask equipped with a mechanical stirrer, a thermometer, a dropping funnel, and an argon inlet tube. Dimethyl sulfoxide (6.0 mL, 0.10 mol) was added and the mixture was cooled to -25 C° using a tetrachloromethane/dryice bath. A solution of 4-tert-butylcyclohexanol (6.24 g, 0.04 mol; mixture of E and Z isomers) in toluene (40 mL) was added dropwise over 5 min, stirring was continued for 2 h at -25 C°, and then a solution of triethylamine (6.0 g, 0.06 mol) in toluene (10 mL) was added dropwise over 3 min. The cooling bath was removed, and, after 5 min, diethyl ether (400 mL) was added. The organic phase was washed with 1% aq. hydrochloric acid (100 mL) and then with water (2 × 100 mL), and dried over anhydrous magnesium sulfate. The solvents were evaporated under reduced pressure, and the residue was transferred to a 50-mL, round-bottomed flask and bulb-to-bulb distilled at 120 C° (25 mmHg) to yield 5.72 g (93%) of 4-tertbutylcyclohexanone 1794; mp 41–45 C°. Recrystallization from petroleum ether at -20 C° gave an 88% recovery of 1794 with mp 45–46 C°.
Synthesis Reference(s) Chemistry Letters, 24, p. 507, 1995
Journal of the American Chemical Society, 94, p. 7586, 1972 DOI: 10.1021/ja00776a056
Tetrahedron Letters, 16, p. 3775, 1975
Purification Methods Purify it via the semicarbazone (crystallised from EtOH with m 203-205o), hydrolyse this with dilute HCl and steam distil it. The distillate is extracted into Et2O, dried, evaporated and the residue is recrystallised from pentane, aqueous EtOH or EtOH [Houlihan J Org Chem 27 3860 1962]. The oxime recrystallises from 1,2-dichloropropane and has m 137.5-138.5o. [Harvill et al. J Org Chem 15 58 1950, Beilstein 7 IV 82.]
 
4-tert-Butylcyclohexanone Preparation Products And Raw materials
Raw materials Dichloromethane-->Magnesium sulfate-->Hydrogen peroxide-->Ammonium chloride-->Hydrogen bromide-->N-Bromosuccinimide-->Sodium bisulfite-->Aluminum oxide-->Chromium(VI) oxide-->SILICIC ACID-->2,2,6,6-Tetramethylpiperidinooxy-->Sodium bromite-->4-tert-Butylcyclohexanol
Preparation Products Cyclohexanol,1-(1,1-dimethylethyl)- -->3-tert-Butyl-9H-carbazole-->2,3,5,6-TETRAFLUOROANISOLE-->(4-TERT-BUTYL-PHENYL)-PHENYL-AMINE-->4-TERT-BUTYLCYCLOHEXYLAMINE

 

Details

 

4-tert-Butylcyclohexanone Basic information
Product Name: 4-tert-Butylcyclohexanone
Synonyms: 98-53-3;4-tert-Butylcyclohexanone, 99% 100GR;4-TERT-BUTYLCYCLOHEXANONE;P-TERT-BUTYLCYCLOHEXANONE;PARA TERTIARY BUTYL CYCLOHEXANONE;TIMTEC-BB SBB007656;4CO;AKOS BBS-00000687
CAS: 98-53-3
MF: C10H18O
MW: 154.25
EINECS: 202-678-5
Product Categories: Halogenated Heterocycles ,Pyrimidines;Carbonyl Compounds;Liquid Crystal intermediates;C10;Ketones
Mol File: 98-53-3.mol
4-tert-Butylcyclohexanone Structure
 
4-tert-Butylcyclohexanone Chemical Properties
Melting point  47-50 °C (lit.)
Boiling point  113-116 °C/20 mmHg (lit.)
density  0.893
refractive index  1.4570 (estimate)
Fp  205 °F
storage temp.  Sealed in dry,Room Temperature
solubility  Chloroform (Slightly), Methanol (Slightly)
form  Crystalline Powder
color  White to almost white
Water Solubility  Soluble in alcohol, ethanol (0.5g/10 mL). Insoluble in water.
BRN  507309
InChIKey YKFKEYKJGVSEIX-UHFFFAOYSA-N
CAS DataBase Reference 98-53-3(CAS DataBase Reference)
NIST Chemistry Reference Cyclohexanone, 4-(1,1-dimethylethyl)-(98-53-3)
EPA Substance Registry System Cyclohexanone, 4-(1,1-dimethylethyl)- (98-53-3)
 
Safety Information
Hazard Codes  Xi
Risk Statements  36/37/38
Safety Statements  26-36
WGK Germany  2
RTECS  GW1140000
TSCA  Yes
HS Code  29142990
toxicity Both the acute oral LD50 value in rats and the acute dermal LD50 value in rabbits were reported to be 5 g/kg
MSDS Information
Provider Language
SigmaAldrich English
ACROS English
ALFA English
 
4-tert-Butylcyclohexanone Usage And Synthesis
Chemical Properties WHITE TO ALMOST WHITE CRYSTALLINE POWDER
Occurrence Has apparently not been reported to occur in nature.
Uses 4-tert-Butylcyclohexanone is used as a perfuming agents and in cosmetic.
Preparation By hydrogenation of p-ferr-butylphenol. Care must be taken that no free p-tert-butylphenol remains, because it is a sensitizer and depigmenting agent(Opdyke, 1974).
Preparation N-Chlorosuccinimide (NCS) (8.0 g, 0.060 mol) and toluene (200 mL) were cooled to 0 C° in a 1-L, threenecked, round-bottomed flask equipped with a mechanical stirrer, a thermometer, a dropping funnel, and an argon inlet tube. Dimethyl sulfoxide (6.0 mL, 0.10 mol) was added and the mixture was cooled to -25 C° using a tetrachloromethane/dryice bath. A solution of 4-tert-butylcyclohexanol (6.24 g, 0.04 mol; mixture of E and Z isomers) in toluene (40 mL) was added dropwise over 5 min, stirring was continued for 2 h at -25 C°, and then a solution of triethylamine (6.0 g, 0.06 mol) in toluene (10 mL) was added dropwise over 3 min. The cooling bath was removed, and, after 5 min, diethyl ether (400 mL) was added. The organic phase was washed with 1% aq. hydrochloric acid (100 mL) and then with water (2 × 100 mL), and dried over anhydrous magnesium sulfate. The solvents were evaporated under reduced pressure, and the residue was transferred to a 50-mL, round-bottomed flask and bulb-to-bulb distilled at 120 C° (25 mmHg) to yield 5.72 g (93%) of 4-tertbutylcyclohexanone 1794; mp 41–45 C°. Recrystallization from petroleum ether at -20 C° gave an 88% recovery of 1794 with mp 45–46 C°.
Synthesis Reference(s) Chemistry Letters, 24, p. 507, 1995
Journal of the American Chemical Society, 94, p. 7586, 1972 DOI: 10.1021/ja00776a056
Tetrahedron Letters, 16, p. 3775, 1975
Purification Methods Purify it via the semicarbazone (crystallised from EtOH with m 203-205o), hydrolyse this with dilute HCl and steam distil it. The distillate is extracted into Et2O, dried, evaporated and the residue is recrystallised from pentane, aqueous EtOH or EtOH [Houlihan J Org Chem 27 3860 1962]. The oxime recrystallises from 1,2-dichloropropane and has m 137.5-138.5o. [Harvill et al. J Org Chem 15 58 1950, Beilstein 7 IV 82.]
 
4-tert-Butylcyclohexanone Preparation Products And Raw materials
Raw materials Dichloromethane-->Magnesium sulfate-->Hydrogen peroxide-->Ammonium chloride-->Hydrogen bromide-->N-Bromosuccinimide-->Sodium bisulfite-->Aluminum oxide-->Chromium(VI) oxide-->SILICIC ACID-->2,2,6,6-Tetramethylpiperidinooxy-->Sodium bromite-->4-tert-Butylcyclohexanol
Preparation Products Cyclohexanol,1-(1,1-dimethylethyl)- -->3-tert-Butyl-9H-carbazole-->2,3,5,6-TETRAFLUOROANISOLE-->(4-TERT-BUTYL-PHENYL)-PHENYL-AMINE-->4-TERT-BUTYLCYCLOHEXYLAMINE

 

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