Grundinformationen
- CAS
137-03-1- Standard-SMILES
CCCCCCCC1CCCC1=O- InChIKey
PJXHBTZLHITWFX-UHFFFAOYSA-N- Summenformel
- C12H22O
- Durchschnittliche Molmasse
- 182,3 g/mol
- Monoisotopische Masse
- 182,16706532
Überblick
structure in first source
Namen und Bezeichner
- Bevorzugter Name
- 2-Heptylcyclopentanone
- IUPAC
- 2-heptylcyclopentan-1-one
- Lokaler Name
- 2-Heptylcyclopentanon
- Englischer Name
- 2-n-Heptylcyclopentanone
- Summenformel
- C12H22O
- Molmasse
- 182.3
Namen und Synonyme
2-HEPTYLCYCLOPENTANONE137-03-12-Heptylcyclopentan-1-oneCyclopentanone, 2-heptyl-AlismoneDTXSID8044547FLEURAMONEFRUTALONE4984B2X8AHNSC-78468DTXCID6024547RefChem:472841
Weitere Namen anzeigen
HEPTONENSC 78468CYCLOAMYLONfleuramone (IFF)2-heptyl-cyclopentanonN-HEPTYL CYCLOPENTANONE
205-273-12-n-HeptylcyclopentanoneCyclopentanone, 2-n-heptyl-MFCD0001931571607-27-72-(n-Heptyl)cyclopentanonealpha-Heptyl cyclopentanonealpha-Heptylcyclopentanone
Datenbank-Bezeichner
- CAS
137-03-1、71607-27-7- PubChem CID
- 8710
- DTXSID
DTXSID8044547- ChEMBL
CHEMBL3185887- UNII
- 4984B2X8AH
- EC Number
- 205-273-1、275-671-8
- Nikkaji
- J72.736I
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 4
- Polarare Oberfläche (TPSA)
- 17,1 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 6
- Schwere Atome
- 13
- Formalladung
- 0
- Komplexität
- 151
Experimentelle und physikochemische Eigenschaften
CosmeticsSolvent
FragrancesFragrance Ingredient (2-Heptylcyclopentanone) -> IFRA transparency List
Endocrine DisruptorsPotential endocrine disrupting compound
Physical DescriptionLiquid; CBI
Physikochemische Eigenschaften
- Siedepunkt
- 264 °C · 264 °C
- Dichte
- 0.89 · 0.89
- Dampfdruck
- 2.4 Pa · 2.4Pa at 24℃
- Brechungsindex
- 1.4526 · 1.4526 (589.3 nm 20℃)
- storage temp.
- Inert atmosphere,Room Temperature
- Löslichkeit
- Practically insoluble in water, soluble in alcohol and oils.
- Aggregatzustand
- clear liquid
- Farbe
- Colorless to Almost colorless
- Geruch (Odor)
- 100 % · at 100.00 %. fresh fruity peach isojasmone oily tropical
- Geruchsart
- fruity
- Wasserlöslichkeit
- 31 mg/L · 31mg/L at 24℃
- Kosmetik-Inhaltsstoffe Funktionen
- FRAGRANCEPERFUMING
- InChI
- InChI=1S/C12H22O/c1-2-3-4-5-6-8-11-9-7-10-12(11)13/h11H,2-10H2,1H3
- InChIKey
- PJXHBTZLHITWFX-UHFFFAOYSA-N
- SMILES
- C1(=O)CCCC1CCCCCCC
- LogP
- 3.8 at · 3.8 at 25℃
- CAS Datenbank
- 137 · 137-03-1(CAS DataBase Reference)
- EPA chemische Informationen
- 2 · Cyclopentanone, 2-heptyl- (137-03-1)
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
Warning
H315 (84.3%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P273, P280, P302+P352, P321, P332+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1693 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: Cyclopentanone, 2-heptyl-
Cyclopentanone, 2-heptyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Cyclopentanone, 2-heptyl- 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)
REACH registered substance: 2-heptylcyclopentanone (EC: 205-273-1)
2-heptylcyclopentanone: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to human health
Hazard Classes and CategoriesSkin Irrit. 2 (84.3%)
Sicherheitsdaten
- tsca
- TSCA listed
- hs_code
- 2914.29.5000
- RTECS-Nr.
- GY4950000
- risk_code
- 36/37/38
- Toxizität
- The acute oral LD50 value in rats was reported as > 5 g/kg (Shelanski, 1973). The acute dermal LD50 value in rabbits was reported as 5 g/kg (Shelanski, 1973).
- safety_code
- 26-37
Chemie und Industrie
Verwendung und Herstellung
U.S. Production2023: <75,000 lb
Consumer UsesFragrance
Industry UsesFragrance
Household ProductsInformation on 5 consumer products that contain 2-Heptylcyclopentanone in the following categories is provided:
Use Classification
Fragrance Ingredients
Cosmetics -> Solvent
General Manufacturing Information
All Other Chemical Product and Preparation Manufacturing
Cyclopentanone, 2-heptyl-: ACTIVE
Anwendungen
OccurrenceHas apparently not been reported to occur in nature.
Darstellung
synthetischeBy catalytic reduction of heptylidene cyclopentanone (Arctander, 1969).
Zugehörige Reaktionen
3
Notizen zur Verbindung
Wird geladen…