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Grundinformationen
- CAS
1119-44-4- Standard-SMILES
CCCC=CC(C)=O- InChIKey
JHHZQADGLDKIPM-UHFFFAOYSA-N- Summenformel
- C7H12O
- Durchschnittliche Molmasse
- 112,172 g/mol
- Monoisotopische Masse
- 112,088815
Namen und Bezeichner
- Bevorzugter Name
- 3-Hepten-2-one
- IUPAC
- Hept-3-en-2-one
- Lokaler Name
- Hept-3-en-2-on
- Englischer Name
- 3-HEPTEN-2-ONE
- Summenformel
- C7H12O
- Molmasse
- 112.17
Namen und Synonyme
FEMA 3400hept-3-en-2-one(E)-hept-3-en-2-one3-HEPTEN-2-ONE USP/EP/BP3-HEPTEN-2-ONE3-Hepten-2-one>METHYL PENTENYL KETONECoconut ketone solutionVortioxetine Impurity 10 Monomer
Datenbank-Bezeichner
- CAS
1119-44-4- PubChem CID
- 14243
- DTXSID
DTXSID7061510- EC Number
- 214-278-8
Eigenschaften
Physikochemische Eigenschaften
- Siedepunkt
- 63 °C · 63°C 13mm
- Dichte
- 0 · 0,86 g/cm3
- Brechungsindex
- 1.445 · 1.4450
- FEMA
- 3400 · 3400 | 3-HEPTEN-2-ONE
- Flammpunkt
- 49 °C · 49°C
- storage temp.
- 2 · Storage temp. 2-8°C
- Aggregatzustand
- clear liquid
- Farbe
- Colorless to Light yellow to Light orange
- Geruch (Odor)
- 10 % · at 10.00 % in dipropylene glycol. green grassy caraway
- Geruchsart
- green
- Wasserlöslichkeit
- Soluble in alcohol and slightly soluble in water(3087 mg/L @ 25°C (est.))
- JECFA Number
- 1127 · 1127
- BRN
- 1739239 · 1739239
- InChI
- 1S/C7H12O/c1-3-4-5-6-7(2)8/h5-6H,3-4H2,1-2H3/b6-5+
- InChIKey
- JHHZQADGLDKIPM-AATRIKPKSA-N
- SMILES
- CCC\C=C\C(C)=O
- LogP
- 1.63 · 1.63
- CAS Datenbank
- 1119 · 1119-44-4(CAS DataBase Reference)
- EPA chemische Informationen
- 3 · 3-Hepten-2-one (1119-44-4)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- 1224
- hs_code
- 2914199090
- risk_code
- 10-11-36/37/38
- hazard_code
- F,Xi
- safety_code
- 16-26
- hazard_class
- 3
- packing_group
- III
- Speicherklasse
- 3 - Flammable liquids
- Hazard Classifications
- Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
Chemie und Industrie
Anwendungen
Beschreibung3-Hepten-2-one is a kind of ketone derivative that can be used as a favoring and fragrance agents. 3-Hepten-2-one belongs to the family of Acryloyl Compounds. It has a powerful, green grassy and caraway odor. It can be used to supply a green note to fruity compositions. It has creamy flavor to be used as caraway, passion fruit and pineapple flavors. This ketone can provide lingering rich after- notes to dairy product such as custard, melted butter, creams and cheers. It is also useful in fatty nut application such as Brazil and pine nuts. It is also useful for the production of heptan-2-one.
OccurrenceReported found in (Byrsinoma crassifolia), red and green pepper, capsicum varieties, hop oil and roasted flbert
VerwendenIt is used in most dairy flavors to add greater depth. This ketone will add lingering rich after-notes, to many processed dairy products such as custard, melted butter, creams and cheeses (Brie, Gorgonzola and blue cheeses). Also beneficial in fatty nut applications (brazil and pine nuts, cashews). It is also used to produce Heptan-2-one.
Darstellung
synthetischeBy reacting 1-pentyne with acetic anhydride to yield 3-heptyn-2-one, which is then converted to cis-3-hepten-2-one by partial catalytic hydrogenation; the trans-form is probably obtained from trans-2-hexenic acid treated with methyl lithium.
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