2-Pentylfuran
Grundinformationen
- CAS
3777-69-3- Standard-SMILES
CCCCCc1ccco1- InChIKey
YVBAUDVGOFCUSG-UHFFFAOYSA-N- Summenformel
- C9H14O
- Durchschnittliche Molmasse
- 138,21 g/mol
- Monoisotopische Masse
- 138,10446507
Überblick
2-pentylfuran is a member of the class of furans that is furan in which the hydrogen at position 2 is replaced by a pentyl group. It is found in many heat-processed foods and drinks. It has a role as a plant growth stimulator, a volatile oil component, a flavouring agent, an insect repellent, an Aspergillus metabolite, a bacterial metabolite and a human urinary metabolite.
Namen und Bezeichner
- Bevorzugter Name
- 2-Pentylfuran
- IUPAC
- 2-pentylfuran
- Lokaler Name
- 2-Pentylfuran
- Englischer Name
- 2-Pentylfuran
- Summenformel
- C9H14O
- Molmasse
- 138.21
Namen und Synonyme
2-PENTYLFURAN3777-69-32-Amylfuran2-n-PentylfuranFuran, 2-pentyl-FEMA No. 3317DTXSID90476796I0QAJ1JZQCHEBI:89197DTXCID7027679RefChem:477892223-234-7
Weitere Namen anzeigen
FEMA 33172-pentylfuraneFMEA 3317PENTYLFURANE2-pentyl-fura2-N-AMYLFURAN
Furan, pentyl-PENTYLFURAN2-Pentylfuran (natural)MFCD00036497UNII-6I0QAJ1JZQ2-pentyl-furanTox21_303542NCGC00257337-01
Datenbank-Bezeichner
- CAS
3777-69-3、64079-01-2- PubChem CID
- 19602
- DTXSID
DTXSID9047679- ChEMBL
CHEMBL3182720- ChEBI
CHEBI:89197- UNII
- 6I0QAJ1JZQ
- EC Number
- 223-234-7
- Nikkaji
- J45.602K
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,7
- Polarare Oberfläche (TPSA)
- 13,1 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 10
- Formalladung
- 0
- Komplexität
- 80,8
Experimentelle und physikochemische Eigenschaften
Chemical ClassesOther Classes -> Ethers, Other
FragrancesFragrance Ingredient (2-Pentylfuran) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.886-0.893
Flavoring AgentsEU Flavoring substances
Solubility
very slightly
Slightly soluble in water
Soluble (in ethanol)
Boiling Point
64.00 to 66.00 °C. @ 23.00 mm Hg
58-60 °C (10 mm Hg)
Refractive Index1.445-1.451
Physical Description
Colorless liquid; [Alfa Aesar MSDS]
Colourless liquid; Fruity aroma
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 0.2% (3 of 1459) of reports.
Warning
H226 (11.7%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P317, P303+P361+P353, P330, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1459 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: Furan, 2-pentyl-
Regulation (EC) No 1331/2008
Furan, 2-pentyl-: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Furan, 2-pentyl-: Environment tier I assessment
Hazards Summary
No significant adverse effects observed in 13-week oral study of rats (average daily intake approximately 25 mg/kg); Furan-substituted aliphatic hydrocarbons have not been evaluated for safe use as flavoring agents due to unresolved toxicological concerns, mainly being the carcinogenicity of furan in animal experiments; [JECFA] May cause irritation; Harmful by ingestion; [Alfa Aesar MSDS] See 2-Propylfuran.
Hazard Classes and CategoriesFlam. Liq. 3 (11.7%)
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
Chemie und Industrie
Pharmakologische Informationen
Cellular LocationsMembrane
Verwendung und Herstellung
UsesUsed as flavoring agent or adjuvant; [FDA]
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing InformationFuran, 2-pentyl-: ACTIVE
Anwendungen
OccurrenceReported found in over 100 food and beverages including coffee, roasted filberts, many berries, currants, guava, grapes, melon, asparagus, cabbage, kohlrabi, celery, cucumber, potato, tomato, Scotch spearmint oil, parsley, breads, yogurt, butter, boiled egg, fish, fish oil, cooked meats, cocoa, coffee, tea, roasted peanuts, pecan, popcorn, potato chips, oats, soybean, avocado, prunes, mushroom, sesame seed oil, mango, cauliflower, broccoli, walnut, fig, coriander seed, rice, sweet potato, calamus, licorice, buckwheat, sweet corn, malt, wort, cassava, endive, clary sage, shrimp, nectarines, okra, crab, clam, anise hyssop, maté, Roman chamomile oil, angelica root oil and mastic gum oil.
Darstellung
synthetischeFrom 2-furyl-1-pentene by catalytic reduction with Raney-Ni.
Anbieter100 Anbieter
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