Grundinformationen
- CAS
1128-08-1- Standard-SMILES
CCCCCC1=C(C)CCC1=O- InChIKey
YCIXWYOBMVNGTB-UHFFFAOYSA-N- Summenformel
- C11H18O
- Durchschnittliche Molmasse
- 166,26 g/mol
- Monoisotopische Masse
- 166,13576519
Überblick
3-methyl-2-pentylcyclopent-2-en-1-one is a cyclic ketone.
Namen und Bezeichner
- Bevorzugter Name
- Dihydrojasmone
- IUPAC
- 3-methyl-2-pentylcyclopent-2-en-1-one
- Lokaler Name
- 3-Methyl-2-pentylcyclopent-2-enon
- Englischer Name
- 2-Pentyl-3-methyl-2-cyclopenten-1-one
- Summenformel
- C11H18O
- Molmasse
- 166.26
Namen und Synonyme
Dihydrojasmone1128-08-13-Methyl-2-pentylcyclopent-2-enone2-CYCLOPENTEN-1-ONE, 3-METHYL-2-PENTYL-FEMA No. 37633-Methyl-2-(n-pentanyl)-2-cyclopenten-1-oneDTXSID4051584Y953R7PP90NSC-71928RefChem:133852DTXCID8030136214-434-5
Weitere Namen anzeigen
DIHYDROJASMONFEMA 3763DI JASMONEDIHYDROJASMONE(RG)Dihydrojasmone >TetrahydroprethroneDIHYDROJASMONE 98+%Tetrahy-dropyrethrone
3-methyl-2-pentylcyclopent-2-en-1-one2-Pentyl-3-methyl-2-cyclopenten-1-oneJasmone, dihydro-Dihydrojasmone (natural)JASMONE,DIHYDROEINECS 214-434-52-Amyl-3-methyl-2-cyclopenten-1-one2-n-Pentyl-3-methyl-2-cyclopenten-1-one
Datenbank-Bezeichner
- CAS
1128-08-1- PubChem CID
- 62378
- DTXSID
DTXSID4051584- ChEMBL
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,9
- Polarare Oberfläche (TPSA)
- 17,1 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 12
- Formalladung
- 0
- Komplexität
- 201
Experimentelle und physikochemische Eigenschaften
FragrancesFragrance Ingredient (3-Methyl-2-(n-pentanyl)-2-cyclopenten-1-one) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.911-0.917
Flavoring AgentsEU Flavoring substances
Solubility
Soluble in fats; Very slightly soluble in water
Soluble (in ethanol)
Boiling Point79 °C (0.19 mm Hg)
Refractive Index1.676-1.682
Physical DescriptionColourless liquid; celery, herbacous, spicy aroma
Physikochemische Eigenschaften
- Siedepunkt
- 120 · 120-121 °C12 mm Hg(lit.)
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
This chemical does not meet GHS hazard criteria for 21.2% (347 of 1635) of reports.
Warning
H319 (78.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)
Aggregated GHS information provided per 1635 reports by companies from 3 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Regulatory Information
Chemical: 2-Cyclopenten-1-one, 3-methyl-2-pentyl-
Regulation (EC) No 1831/2003 (amended)
2-Cyclopenten-1-one, 3-methyl-2-pentyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesEye Irrit. 2 (78.8%)
Sicherheitsdaten
- wgk
- 2
- tsca
- TSCA listed
- hs_code
- 29142990
- RTECS-Nr.
- GY7302000
- Toxizität
- The acute oral LD50 in rats was reported as 2.5 g/kg (1.79-3.50 g/kg) (Keating, 1972). The acute dermal LD50 value in rabbits was reported as 5 g/kg (Keating, 1972).
- Speicherklasse
- 10 - Combustible liquids
Chemie und Industrie
Pharmakologische Informationen
Cellular LocationsMembrane
Verwendung und Herstellung
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
General Manufacturing Information2-Cyclopenten-1-one, 3-methyl-2-pentyl-: ACTIVE
Anwendungen
OccurrenceHas apparently not been reported to occur in nature.
Darstellung
synthetischeHexyl bromide plus levulinic ester yields a lactone, which is reacted with polyphosphoric acid or phosphorus pentoxide to produce hydrojasmone.
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