HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2-sec-Butylcyclohexan-1-on
FRESKOMENTHE · FEMA 3261 · FRESCOMENTHE · 2-CYCLOHEXANONE · Freskomenthe 5202703 · 2-sec-butyl-cyclohexanon · O-SEC-BUTYLCYCLOHEXANONE · peppermint cyclohexanone
Identifikatoren & physikalische Daten
| CAS No. | 14765-30-1 |
|---|---|
| Summenformel | C10H18O |
| Durchschnittliche Molmasse | 154,25 g/mol |
| Monoisotopische Masse | 154,1357652 g/mol |
| SMILES | CCC(C)C1CCCCC1=O |
| InChIKey | RQXTZKGDMNIWJF-UHFFFAOYSA-N |
| PubChem CID | 61771 |
| EC No. | 238-830-2 |
| DTXSID | DTXSID4041818 |
| Lokaler Name | 2-sec-Butylcyclohexan-1-on |
Chemische & physikalische Eigenschaften
| XLogP | 2,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 17,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 140 |
| Duftstoffe | Fragrance Ingredient (2-sec-Butylcyclohexanone) -> IFRA transparency List |
| Lebensmittelzusatzstoffe | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
| Dichte | 0.911-0.9170.912 g/mL at 25 °C(lit.) |
| Aromastoffe | EU Flavoring substances |
| Löslichkeit | 566 mg/L @ 20 °C (exp)insoluble in watermiscible with most oilsMiscible at room temperature (in ethanol)577mg/L at 20℃ |
| Siedepunkt | 76.00 to 78.00 °C. @ 8.00 mm Hg76-78 °C76-78 °C8 mm Hg(lit.) |
| Brechungsindex | 1.454-1.461n20/D 1.458(lit.) |
| Physical Description | LiquidColourless, viscous liquid, solidifies to an opaque masswoody camphoraceous somewhat musty odour |
| Schmelzpunkt | 27.18°C (estimate) |
| Dampfdruck | 5.52hPa at 20℃ |
| FEMA | 3261 | 2-SEC-BUTYLCYCLOHEXANONE |
| Flammpunkt | 181 °F |
| Aggregatzustand | clear liquid |
| Farbe | Colorless to Light yellow to Light orange |
| Geruch | at 100.00 %. fresh mint peppermint woody camphor |
| Geruchsart | mentholic |
| JECFA Number | 1109 |
| BRN | 1859137 |
| Kosmetik-Inhaltsstoffe Funktionen | PERFUMING |
| LogP (Verteilungskoeffizient) | 3.2 at 35℃ |
| EPA chemische Informationen | Cyclohexanone, 2-(1-methylpropyl)- (14765-30-1) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 96% (1531 of 1595) of all reports.Not ClassifiedAggregated GHS information provided per 1595 reports by companies from 3 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | Chemical: Cyclohexanone, 2-(1-methylpropyl)-Regulation (EC) No 1334/2008 (amended)Cyclohexanone, 2-(1-methylpropyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Cyclohexanone, 2-(1-methylpropyl)- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Status: Active Update: 28-02-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/222562-sec-butylcyclohexan-1-one: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Not Classified |
| Wassergefährdungsklasse (WGK) | 2 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29142990 |
| RTECS-Nr. | GW1804000 |
| Toxizität | rabbit,LD50,skin,> 5gm/kg (5000mg/kg),Food and Chemical Toxicology. Vol. 30, Pg. 11S, 1992. |
| Sicherheitshinweise (S) | 24/25 |
Herstellung & Synthese
synthetische
By hydrogenation of o-sec-butyl phenol in the presence of palladium catalyst; by hydrogenation of 2-sec-butylidene cyclohexanone.