4-tert-Butylcyclohexanone
- CAS No.
- 98-53-3
- Chemical Name:
- 4-tert-Butylcyclohexanone
- Synonyms
- 98-53-3;4-t-Butylcyclohexanone;4-tert-Butyl;4CO;c64;TBHK;c 64;YLANATKETON;AKOS BBS-00000687;TIMTEC-BB SBB007656
- CBNumber:
- CB4254201
- Molecular Formula:
- C10H18O
- Molecular Weight:
- 154.25
- MDL Number:
- MFCD00001642
- MOL File:
- 98-53-3.mol
- MSDS File:
- SDS
Melting point | 47-50 °C (lit.) |
---|---|
Boiling point | 113-116 °C/20 mmHg (lit.) |
Density | 0.893 |
vapor pressure | 7.91-14.2Pa at 20-25℃ |
refractive index | 1.4570 (estimate) |
Flash point | 205 °F |
storage temp. | Sealed in dry,Room Temperature |
solubility | Chloroform (Slightly), Methanol (Slightly) |
form | Crystalline Powder |
color | White to almost white |
Odor | at 1.00 % in dipropylene glycol. woody mint patchouli musk leather |
Odor Type | woody |
Water Solubility | Soluble in alcohol, ethanol (0.5g/10 mL). Insoluble in water. |
BRN | 507309 |
InChIKey | YKFKEYKJGVSEIX-UHFFFAOYSA-N |
LogP | 2.91 |
CAS DataBase Reference | 98-53-3(CAS DataBase Reference) |
EWG's Food Scores | 1 |
FDA UNII | 4M45G11K23 |
NIST Chemistry Reference | Cyclohexanone, 4-(1,1-dimethylethyl)-(98-53-3) |
EPA Substance Registry System | Cyclohexanone, 4-(1,1-dimethylethyl)- (98-53-3) |
SAFETY
Risk and Safety Statements
Symbol(GHS) | GHS07 |
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Signal word | Warning | |||||||||
Hazard statements | H302-H412 | |||||||||
Precautionary statements | P273-P301+P312+P330 | |||||||||
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 | |||||||||
NFPA 704 |
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4-tert-Butylcyclohexanone price More Price(31)
Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
---|---|---|---|---|---|---|---|
Sigma-Aldrich | B92303 | 4-tert-Butylcyclohexanone 99% | 98-53-3 | 25g | $54 | 2024-03-01 | Buy |
Sigma-Aldrich | B92303 | 4-tert-Butylcyclohexanone 99% | 98-53-3 | 100g | $85 | 2024-03-01 | Buy |
TCI Chemical | B1074 | 4-tert-Butylcyclohexanone >97.0%(GC) | 98-53-3 | 25g | $68 | 2024-03-01 | Buy |
TCI Chemical | B1074 | 4-tert-Butylcyclohexanone >97.0%(GC) | 98-53-3 | 100g | $170 | 2024-03-01 | Buy |
Alfa Aesar | A15612 | 4-tert-Butylcyclohexanone, 99% | 98-53-3 | 100g | $66.5 | 2024-03-01 | Buy |
4-tert-Butylcyclohexanone Chemical Properties,Uses,Production
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.
Definition
ChEBI: Cyclohexanone, 4-(1,1-dimethylethyl)- is a cyclic ketone.
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
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Preparation Products
Supplier | Tel | Country | ProdList | Advantage | |
---|---|---|---|---|---|
Hebei Mojin Biotechnology Co., Ltd | +8613288715578 | sales@hbmojin.com | China | 12471 | 58 |
Hebei Guanlang Biotechnology Co,.LTD | +8619930503252 | daisy@crovellbio.com | China | 5963 | 58 |
Ouhuang Engineering Materials (Hubei) Co., Ltd | +8617702722807 | admin@hbouhuang.com | China | 3001 | 58 |
Capot Chemical Co.,Ltd. | 571-85586718 +8613336195806 | sales@capotchem.com | China | 29797 | 60 |
Shanghai Daken Advanced Materials Co.,Ltd | +86-371-66670886 | info@dakenam.com | China | 15957 | 58 |
Henan Tianfu Chemical Co.,Ltd. | +86-0371-55170693 +86-19937530512 | info@tianfuchem.com | China | 21689 | 55 |
Nanjing ChemLin Chemical Industry Co., Ltd. | 025-83697070 | product@chemlin.com.cn | CHINA | 3012 | 60 |
ATK CHEMICAL COMPANY LIMITED | +undefined-21-51877795 | ivan@atkchemical.com | China | 32686 | 60 |
career henan chemical co | +86-0371-86658258 | sales@coreychem.com | China | 29914 | 58 |
Hubei Jusheng Technology Co.,Ltd. | 18871490254 | linda@hubeijusheng.com | CHINA | 28180 | 58 |
View Lastest Price from 4-tert-Butylcyclohexanone manufacturers
Image | Update time | Product | Price | Min. Order | Purity | Supply Ability | Manufacturer | |
---|---|---|---|---|---|---|---|---|
2024-04-27 | 4-tert-Butylcyclohexanone
98-53-3
|
US $20.00 / kg | 1kg | 99.9% | 200000kg | Ouhuang Engineering Materials (Hubei) Co., Ltd | ||
2023-07-01 | 4-tert-Butylcyclohexanone
98-53-3
|
US $9.00 / KG | 1KG | 99.9 | 1 ton | Hebei Guanlang Biotechnology Co,.LTD | ||
2023-06-30 | 4-tert-Butylcyclohexanone
98-53-3
|
US $0.00 / KG | 1KG | 99% | 50000KG/month | Hebei Mojin Biotechnology Co., Ltd |
- 4-tert-Butylcyclohexanone
98-53-3
- US $20.00 / kg
- 99.9%
- Ouhuang Engineering Materials (Hubei) Co., Ltd
- 4-tert-Butylcyclohexanone
98-53-3
- US $9.00 / KG
- 99.9
- Hebei Guanlang Biotechnology Co,.LTD
- 4-tert-Butylcyclohexanone
98-53-3
- US $0.00 / KG
- 99%
- Hebei Mojin Biotechnology Co., Ltd
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