4-Isopropylcyclohex-2-en-1-on
4-Isopropyl-2-cyclohexenone
Grundinformationen
- CAS
2158-61-4- Standard-SMILES
CC(C)C1C=CC(=O)CC1- InChIKey
AANMVENRNJYEMK-UHFFFAOYSA-N- Summenformel
- C9H14O
- Durchschnittliche Molmasse
- 138,21 g/mol
- Monoisotopische Masse
- 138,10446507
Überblick
4-(1-methylethyl)-2-Cyclohexen-1-one is a member of cyclohexenones.
Namen und Bezeichner
- Bevorzugter Name
- 4-Isopropyl-2-cyclohexenone
- IUPAC
- 4-propan-2-ylcyclohex-2-en-1-one
- Lokaler Name
- 4-Isopropylcyclohex-2-en-1-on
- Englischer Name
- 4-isopropylcyclohex-2-en-1-one
- Summenformel
- C9H14O
- Molmasse
- 138.21
Namen und Synonyme
4-Isopropyl-2-cyclohexenone500-02-7CryptonCryptone2-Cyclohexen-1-one, 4-(1-methylethyl)-4-Isopropylcyclohex-2-en-1-one4-(1-Methylethyl)-2-cyclohexen-1-one4-propan-2-ylcyclohex-2-en-1-one2-Cyclohexen-1-one, 4-isopropyl-4-iso-Propyl-2-cyclohexenone0U8E4W4GBBNSC 22060
Weitere Namen anzeigen
NSC22060)-Cryptone(±)-CryptoneCryptone【compound】6-Isopropylcyclohexen-3-one4-Isopropyl-2-cyclohexen-1-one
DL-KRYPTONEEINECS 207-898-5NSC-22060FEMA NO. 3939DTXSID108620554-ISOPROPYL-2-CYCLOHEXENONE [FHFI](+-)-CryptoneRefChem:524320
Datenbank-Bezeichner
- CAS
2158-61-4、500-02-7- PubChem CID
- 92780
- DTXSID
DTXSID10862055- ChEBI
CHEBI:229380
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2
- Polarare Oberfläche (TPSA)
- 17,1 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 10
- Formalladung
- 0
- Komplexität
- 156
Experimentelle und physikochemische Eigenschaften
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.930-0.950
Flavoring AgentsEU Flavoring substances
Solubility
insoluble in water; soluble in oils
Miscible at room temperature (in ethanol)
Boiling Point198 °C
Refractive Index1.481-1.490
Physical DescriptionColourless liquid; woody minty herbaceous
Physikochemische Eigenschaften
- Siedepunkt
- 98 · 98-100 °C(Press: 10 Torr)
- Dichte
- 0.9472 · 0.9472-0.9483 g/cm3(Temp: 15 °C)
- FEMA
- 3939 · 3939 | 4-ISOPROPYL-2-CYCLOHEXENONE
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Danger
H301 (> 99.9%): Toxic if swallowed [Danger Acute toxicity, oral]
P262, P264, P264+P265, P270, P280, P301+P316, P302+P352, P305+P351+P338, P316, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1522 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: 2-Cyclohexen-1-one, 4-(1-methylethyl)-
Regulation (EC) No 1334/2008 (amended)
2-Cyclohexen-1-one, 4-(1-methylethyl)-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 3 (> 99.9%)
Sicherheitsdaten
- tsca
- TSCA listed
Chemie und Industrie
Pharmakologische Informationen
Cellular LocationsCytoplasm
Verwendung und Herstellung
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing Information2-Cyclohexen-1-one, 4-(1-methylethyl)-: ACTIVE
Anwendungen
Verwenden(±)-Cryptone is a component in Eucalyptus camaldulensis essential oils and is a volatile component found in lavender. (±)-Cryptone is also an intermediate in the synthesis of β-Phellandrene (P294560), a terpene compound that can be found and extracted from the leaves of eucalyptus radiata. β-Phellandrene is also a major constituent of essential oils that have antiproliferative effects in human renal adenocarcinoma and amelanotic melanoma cells.
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