Grundinformationen
- CAS
4312-99-6- Standard-SMILES
C=CC(=O)CCCCC- InChIKey
KLTVSWGXIAYTHO-UHFFFAOYSA-N- Summenformel
- C8H14O
- Durchschnittliche Molmasse
- 126,2 g/mol
- Monoisotopische Masse
- 126,10446507
Überblick
1-Octen-3-one is an olefinic compound. It is functionally related to an acrylic acid.
Namen und Bezeichner
- Bevorzugter Name
- 1-Octen-3-one
- IUPAC
- oct-1-en-3-one
- Lokaler Name
- Oct-1-en-3-on
- Englischer Name
- 1-Octen-3-one
- Summenformel
- C8H14O
- Molmasse
- 126.2
Namen und Synonyme
1-OCTEN-3-ONEOct-1-en-3-one4312-99-6Vinyl amyl ketoneAmyl vinyl ketoneFEMA No. 3515DTXSID50471627LT7Z4Q9XRDTXCID3027162RefChem:76779224-327-5Pentyl vinyl ketone
Weitere Namen anzeigen
-octen-3-one1-OCLen-3-one7-Octene-6-one1-Octen-3-one>
n-pentyl vinyl ketoneMFCD000365581-octene-3-oneOcten-3-one, 11-Octen-3-one, 96%FEMA 35151-Octen-3-one, analytical standardAKOS007930624
Datenbank-Bezeichner
- CAS
4312-99-6- PubChem CID
- 61346
- DTXSID
DTXSID5047162- ChEMBL
CHEMBL3186486- ChEBI
CHEBI:88900- UNII
- 7LT7Z4Q9XR
- EC Number
- 224-327-5
- Nikkaji
- J126.519I
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,4
- Polarare Oberfläche (TPSA)
- 17,1 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 5
- Schwere Atome
- 9
- Formalladung
- 0
- Komplexität
- 94,7
Experimentelle und physikochemische Eigenschaften
Chemical ClassesOther Classes -> Aliphatic Ketones, Other
LipidsFatty Acyls [FA] -> Oxygenated hydrocarbons [FA12]
FragrancesFragrance Ingredient (1-Octen-3-one) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.813-0.819
Flavoring AgentsEU Flavoring substances
Solubility
insoluble in water; miscible in oils
Miscible at room temperature (in ethanol)
Boiling Point
59.00 to 60.00 °C. @ 16.00 mm Hg
37-38 °C (1.9-2.3 mm Hg)
Refractive Index1.428-1.439
Physical Description
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H302 (97.2%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1594 reports by companies from 7 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Regulatory Information
Chemical: 1-Octen-3-one
Regulation (EC) No 1831/2003 (amended)
1-Octen-3-one: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummarySafe when used as a flavoring agent in food; [JECFA] May polymerize; A skin and strong eye irritant; [Alfa Aesar MSDS]
Hazard Classes and CategoriesAcute Tox. 4 (97.2%)
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 2810 6.1/PG 3
- hs_code
- 29142990
- risk_code
- 22-36/37/38-52/53-36/38
- hazard_code
- Xn
- safety_code
- 26-36-61
- hazard_class
- 3
- packing_group
- III
- Speicherklasse
- 10 - Combustible liquids
Chemie und Industrie
Pharmakologische Informationen
Cellular LocationsCytoplasm
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
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing Information1-Octen-3-one: ACTIVE
Anwendungen
OccurrenceReported found in cooked artichoke, cider, fish, matsutake, milk, peas, soya bean, mushrooms, potatoes, orange juice, tomato and passion fruit.
Verwenden1-Octen-3-one is a volatile unsaturated ketone that has a strong mushroom-like odour. 1-Octen-3-one is also a flavour component of the Agaricus bisporus mushroom and is used in a variety of food products.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Nachgelagerte Produkte
Zugehörige Reaktionen
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