Grundinformationen
- CAS
10108-80-2- Standard-SMILES
CCC(=O)OCC(C)OC(=O)CC- InChIKey
KFNABOVSAPCOCY-UHFFFAOYSA-N- Summenformel
- C9H16O4
- Durchschnittliche Molmasse
- 188,22 g/mol
- Monoisotopische Masse
- 188,10485899
Namen und Bezeichner
- Bevorzugter Name
- Propylene glycol dipropionate
- IUPAC
- 2-propanoyloxypropyl propanoate
- Lokaler Name
- Propan-1,2-diyldipropionat
- Englischer Name
- propane-1,2-diyl dipropionate
- Summenformel
- C9H16O4
- Molmasse
- 188.22
Namen und Synonyme
Propylene glycol dipropionate10108-80-2Propyleneglycol dipropionate1,2-Propanediol, dipropanoatePropylene glycol 1,2-dipropionateEINECS 233-298-8UNII-4DZ729T8XWBRN 17759064DZ729T8XWAI3-28581FEMA NO. 44654-02-00-00715 (Beilstein Handbook Reference)
Weitere Namen anzeigen
2-propanoyloxypropyl propanoate1,2-Propylene glycol dipropionateDipropionic acid 1,2-propanediyl ester
1,2-Propanediol, 1,2-dipropanoate1,2-Propanediol, dipropanoate (9CI)RefChem:176541(+-)-PROPYLENEGLYCOL DIPROPIONATEPROPYLENEGLYCOL DIPROPIONATE, (+-)-233-298-8KFNABOVSAPCOCY-UHFFFAOYSA-NPropane-1,2-diyl dipropionate
Datenbank-Bezeichner
- CAS
10108-80-2- PubChem CID
- 112002
- DTXSID
DTXSID50864210- UNII
- 4DZ729T8XW
- EC Number
- 233-298-8
- Nikkaji
- J106.474F
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,4
- Polarare Oberfläche (TPSA)
- 52,6 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 7
- Schwere Atome
- 13
- Formalladung
- 0
- Komplexität
- 176
Experimentelle und physikochemische Eigenschaften
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density1.009-1.015 (20 °C)
Solubility
Very slightly soluble in water
Soluble (in ethanol)
Boiling Point228-230 °C
Refractive Index1.415-1.421
Physical DescriptionClear colourless liquid; Mild winey-fruity aroma
Physikochemische Eigenschaften
- FEMA
- 4465 · 4465 | PROPYLENEGLYCOL DIPROPIONATE
- Geruch (Odor)
- winey fruity
- Geruchsart
- winey
- JECFA Number
- 1978 · 1978
- LogP
- 1.36 · 1.36
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
Gefahrenhinweise
Regulatory Information1,2-Propanediol, dipropanoate: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Chemie und Industrie
Verwendung und Herstellung
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Anwendungen
VerwendenPropane-1,2-diyl dipropionate has found some use in perfume compositions and occasionally in flavor compositions. It is rarely offered commercially, but normally manufactured by the interested party for “private” use. The ester may hydrolyze under certain, not necessarily abnormal, circumstances, and it is not very popular among perfumers for that reason. Its mission in perfumes is mostly that of “mellowing” and introducing notes simulating well-aged alcoholic perfume solutions. It is often used in conjunction with Ethyl acetoacetate and similar materials for such purpose.
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