Octan-3-on

3-Octanone

HCID 246728CAS 106-68-3

Grundinformationen

Standard-SMILES
CCCCCC(=O)CC
InChIKey
RHLVCLIPMVJYKS-UHFFFAOYSA-N
Summenformel
C8H16O
Durchschnittliche Molmasse
128,21 g/mol
Monoisotopische Masse
128,12011513

Namen und Bezeichner

Bevorzugter Name
3-Octanone
IUPAC
octan-3-one
Lokaler Name
Octan-3-on
Englischer Name
3-Octanone
Summenformel
C8H16O
Molmasse
128.21

Namen und Synonyme

3-OctanoneOctan-3-one106-68-3Ethyl pentyl ketoneEthyl n-pentyl ketoneEthyl n-amyl ketone3-OxooctaneFEMA No. 2803DTXSID3041954NSC-60161DTXCID1021954CHEBI:80946
Weitere Namen anzeigen
ETHYL AMYL KETONEFEMA 2803octan-3-OCTANONE,3-Octane-3-onn-Octanone-3
79173B4107RefChem:25868203-423-0Amyl ethyl ketoneEthyl n-amylketoneEAKNSC 60161MFCD00009515

Datenbank-Bezeichner

CAS
106-68-3
PubChem CID
246728
DTXSID
DTXSID3041954
ChEMBL
CHEMBL2269087
ChEBI
CHEBI:80946
UNII
79173B4107
EC Number
203-423-0
Nikkaji
J3.245J

Eigenschaften

Berechnete Struktureigenschaften

XLogP
2,3
Polarare Oberfläche (TPSA)
17,1 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
1
Frei drehbare Bindungen
5
Schwere Atome
9

Physikochemische Eigenschaften

Schmelzpunkt
-23 °C · -23 °C
Siedepunkt
167 · 167-168 °C (lit.)
Dichte
0.822 g/mL · 0.822 g/mL at 25 °C (lit.)
Dampfdruck
2.67 hPa · 2.67hPa at 20℃
FEMA
2803 · 2803 | 3-OCTANONE
Brechungsindex
20 · n20/D 1.415(lit.)

Sicherheit und Regulatorisches

Sicherheitsdaten

wgk
1
tsca
TSCA listed
ridadr
UN 2271
hs_code
29141900
RTECS-Nr.
RH1485000
risk_code
10-36/37/38-36

Chemie und Industrie

Anwendungen · 3 Einträge

Beschreibung3-Octanone has a strong, penetrating, fruity odor reminiscent of lavender. It can be prepared by passing a mixture of vapors of caproic acid and acetic acid over ThO2 at 400°C, or by oxidation of d-ethyl n-amyl carbinol with chromates; another synthetic route is reported.

OccurrenceReported identified in the low-boiling fraction of the essential oil of lavender; also reported found in the essential oils of Lavandula vera (10%) and French lavender. Reported found in banana, bilberry, currants, guava, melon, blueberry, blackberry, strawberry jam, peas, fried potato, ginger, Mentha oils, thyme, cheeses, butter, fish, cooked meats, cognac, coffee, tea, roasted peanuts, pecan, soybean, olive, plum, beans, mushroom, wild marjoram, trassi, rice bran, litchi, calamus, buckwheat, rosemary, lemon balm, clary sage, rosemary, truffle, nectarine, anise hyssop and maté.

Verwenden3-Octanone can be produced by oxidation of 3-octanol or by heating propionic acid and caproic acid over thorium oxide. 3-Octanone is used as an ingredient in soaps, perfumes, lotions, and creams. It is also used as a flavoring agent in foods. U.S. production and importation of 3-octanone was estimated to be relatively low (,25,000 lb at a single site) in 2005 as data for 3-octanone were not included in the 2006 U.S. EPA Inventory Update Reporting database.

Darstellung

synthetischeBy heating propionic and caproic acids over thorium oxide or by oxidation of ethyl amyl carbinol (3-octanol) (Arctander, 1969).

Vor- und nachgelagerte Produkte

Anbieter50 Anbieter

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
江西益众化工有限公司15307925109 15350027073 · [email protected]
阿诺西(上海)生物技术有限公司400-1107768 15058188853 · [email protected]

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