4-tert-Butylcyclohexanon
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- CAS-Nr.
- 98-53-3
- Bezeichnung:
- 4-tert-Butylcyclohexanon
- Englisch Name:
- 4-tert-Butylcyclohexanone
- Synonyma:
- 98-53-3;4-t-Butylcyclohexanone;4-tert-Butyl;4CO;c64;TBHK;c 64;YLANATKETON;AKOS BBS-00000687;TIMTEC-BB SBB007656
- CBNumber:
- CB4254201
- Summenformel:
- C10H18O
- Molgewicht:
- 154.25
- MOL-Datei:
- 98-53-3.mol
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4-tert-Butylcyclohexanon Eigenschaften
- Schmelzpunkt:
- 47-50 °C (lit.)
- Siedepunkt:
- 113-116 °C/20 mmHg (lit.)
- Dichte
- 0.893
- Dampfdruck
- 7.91-14.2Pa at 20-25℃
- Brechungsindex
- 1.4570 (estimate)
- Flammpunkt:
- 205 °F
- storage temp.
- Sealed in dry,Room Temperature
- Löslichkeit
- Chloroform (Slightly), Methanol (Slightly); Almost insoluble in water, soluble in alcohol and oils.
- Aggregatzustand
- Crystalline Powder
- Farbe
- White to almost white
- Geruch (Odor)
- Powerful, dry-camphoraceous, slightly minty odor with woody Cedar-Patchouli-like undertones.
- Geruchsart
- woody
- Wasserlöslichkeit
- Soluble in alcohol, ethanol (0.5g/10 mL). Insoluble in water.
- BRN
- 507309
- Kosmetik-Inhaltsstoffe Funktionen
- PERFUMING
- InChI
- 1S/C10H18O/c1-10(2,3)8-4-6-9(11)7-5-8/h8H,4-7H2,1-3H3
- InChIKey
- YKFKEYKJGVSEIX-UHFFFAOYSA-N
- SMILES
- CC(C)(C)C1CCC(=O)CC1
- LogP
- 2.91
- CAS Datenbank
- 98-53-3(CAS DataBase Reference)
- NIST chemische Informationen
- Cyclohexanone, 4-(1,1-dimethylethyl)-(98-53-3)
- EPA chemische Informationen
- Cyclohexanone, 4-(1,1-dimethylethyl)- (98-53-3)
Sicherheit
- Risiko- und Sicherheitserklärung
- Gefahreninformationscode (GHS)
| Kennzeichnung gefährlicher |
Xi |
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| R-Sätze: |
36/37/38 |
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| S-Sätze: |
26-36 |
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| WGK Germany |
2 |
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| RTECS-Nr. |
GW1140000 |
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| TSCA |
TSCA listed |
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| HS Code |
29142990 |
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| Speicherklasse |
11 - Combustible Solids |
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| Hazard Classifications |
Acute Tox. 4 Oral
Aquatic Chronic 3 |
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| Toxizität |
Both the acute oral LD50 value in rats and the acute dermal LD50 value in rabbits were reported to be 5 g/kg |
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| Bildanzeige (GHS) |
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| Alarmwort |
Warnung
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| Gefahrenhinweise |
| Code |
Gefahrenhinweise |
Gefahrenklasse |
Abteilung |
Alarmwort |
Symbol |
P-Code |
| H302 |
Gesundheitsschädlich bei Verschlucken. |
Akute Toxizität oral |
Kategorie 4 |
Warnung |
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P264, P270, P301+P312, P330, P501 |
| H412 |
Schädlich für Wasserorganismen, mit langfristiger Wirkung. |
Langfristig (chronisch) gewässergefährdend |
Kategorie 3 |
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P273, P501 |
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| Sicherheit |
| P273 |
Freisetzung in die Umwelt vermeiden. |
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4-tert-Butylcyclohexanon Chemische Eigenschaften,Einsatz,Produktion Methoden
R-Sätze Betriebsanweisung:
R36/37/38:Reizt die Augen, die Atmungsorgane und die Haut.
S-Sätze Betriebsanweisung:
S26:Bei Berührung mit den Augen sofort gründlich mit Wasser abspülen und Arzt konsultieren.
S36:DE: Bei der Arbeit geeignete Schutzkleidung tragen.
Chemische Eigenschaften
WHITE TO ALMOST WHITE CRYSTALLINE POWDER
Occurrence
Has apparently not been reported to occur in nature.
Verwenden
4-tert-Butylcyclohexanone is used as a perfuming agents and in cosmetic. This material, commercially available for almost two decades, has only temporarily gained some importance as a powerful, “lifting” soap perfume ingredient, or as an in-expensive additive to Patchouli notes for soap and detergent fragrances, etc. It has more power and much less tenacity than Cedarwood and Patchouli, which is only an advantage in certain types of household products, where tenacity is not always very desirable. The title ketone can also give powerful “lift” to certain types of floral fragrance and to most of the herbaceous ones, Lavender, Lavandin, Rosemary, etc.
synthetische
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).
läuterung methode
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-Butylcyclohexanon Upstream-Materialien And Downstream Produkte
Upstream-Materialien
Downstream Produkte
4-tert-Butylcyclohexanon Anbieter Lieferant Produzent Hersteller Vertrieb Händler.
Global( 317)Lieferanten
98-53-3(4-tert-Butylcyclohexanon)Verwandte Suche:
- 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
- CYCLOHEXANONE, 4-(1,1-DIMETHYL ETHYL)
- 4-(1,1-dimethylethyl)-cyclohexanon
- TBHK
- γ-tert-Butylcyclohexanone
- 4-tercbutyl-cyclohexanone
- 4-(1,1-dimethylethyl)-Cyclohexanone
- 4-Tert-Butylcyclohexanone,~92%
- c 64
- c64
- Cyclohexanone, 4-tert-butyl-
- Cyclohexanone, p-tert-butyl-
- gamma-tert-Butylcyclohexanone
- p-tert-butyl-cyclohexanon
- 4-tert-butylcyclohenxanone
- Butylcyclohexanone, p-tert-
- 4-tert-Butylcyclohexanone,99%
- 4-tert-Butyl
- 4-tert-butyl-cyclohe
- PARA-TERT-BUTYLCYCLOHEXANONE
- 4-tert-Butylcyclohexanon
- YLANATKETON
- 4-tert-Butylcyclohexanone >
- 4-tert-Butylcyclohexanone USP/EP/BP
- 4-tert-Butylcyclohexanone
- 4-tert-Butylcyclohexanone, 96%
- 4-t-Butylcyclohexanone
- 98-53-3
- CH33CC6H9O
- Carbonyl Compounds
- C10
- Building Blocks
- Ketones
- Organic Building Blocks
- KETONE
- Halogenated Heterocycles ,Pyrimidines
- Carbonyl Compounds
- Ketones
- Liquid Crystal intermediates
- C10
- bc0001
