Grundinformationen
- CAS
109-20-6- Standard-SMILES
CC(C)=CCC/C(C)=C/COC(=O)CC(C)C- InChIKey
SOUKTGNMIRUIQN-NTEUORMPSA-N- Summenformel
- C15H26O2
- Durchschnittliche Molmasse
- 238,37 g/mol
- Monoisotopische Masse
- 238,19328007
Überblick
Geranyl 3-methylbutanoate is a carboxylic ester.
Namen und Bezeichner
- Bevorzugter Name
- Geranyl isovalerate
- IUPAC
- [(2E)-3,7-dimethylocta-2,6-dienyl] 3-methylbutanoate
- Lokaler Name
- Geranylisovalerat
- Englischer Name
- GERANYL ISOVALERATE
- Summenformel
- C15H26O2
- Molmasse
- 238.37
Namen und Synonyme
Geranyl isovalerate109-20-6Geranyl isopentanoateFEMA No. 2518Isovaleric acid geranyl esterGeranyl isovalerate (natural)OPO8694RK3Butanoic acid, 3-methyl-, 3,7-dimethyl-2,6-octadienyl ester, (E)-[(2E)-3,7-dimethylocta-2,6-dienyl] 3-methylbutanoateEINECS 203-655-2trans-3,7-Dimethyl-2,6-octadienyl isopentanoateAI3-36015
Weitere Namen anzeigen
FEMA 25183,7GeranylisovaleratGerny isovalerateGeranyl isovarerateGERANYLISOVALERIANATGeranyl IsovaleranteIsovaleric acid geranyl
Isovaleric acid, 3,7-dimethyl-2,6-octadienyl ester, (E)-GERANYL ISOVALERATE [FCC]2,6-OCTADIEN-1-OL, 3,7-DIMETHYL-, ISOVALERATE, (E)-DTXSID10883184GERANYL ISOVALERATE [FHFI]3,7-Dimethyl-2,6-octadienyl isovalerate, (E)-Butyric acid, 3-methyl-, 3,7-dimethyl-2,6-octadienyl ester, (E)-3,7-Dimethyl-2,6-octadien-1-yl isovalerate, trans-
Datenbank-Bezeichner
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 4,7
- Polarare Oberfläche (TPSA)
- 26,3 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 8
- Schwere Atome
- 17
- Formalladung
- 0
- Komplexität
- 281
Experimentelle und physikochemische Eigenschaften
LipidsFatty Acyls [FA] -> Fatty esters [FA07] -> Wax monoesters [FA0701]
SpringerMaterials PropertiesSurface tension
FragrancesFragrance Ingredient (Geranyl isovalerate) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.878-0.899
Flavoring AgentsEU Flavoring substances
Solubility
soluble in alcohol, most fixed oils; insoluble in water
(in ethanol)
Boiling Point279 °C
Refractive Index1.454-1.470
Physical Descriptioncolourless to pale yellow liquid/rose odour
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 100% (308 of 308) of all reports.
Not Classified
Aggregated GHS information provided per 308 reports by companies from 1 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Regulatory Information
Chemical: Butanoic acid, 3-methyl-, 3,7-dimethyl-2,6-octadienyl ester, (E)-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Butanoic acid, 3-methyl-, (2E)-3,7-dimethyl-2,6-octadienyl ester: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Simple esters of geraniol and nerol: Human health tier II assessment
Hazard Classes and CategoriesNot Classified
Sicherheitsdaten
- wgk
- 2
- tsca
- TSCA listed
- RTECS-Nr.
- RG5927700
- Toxizität
- Both the acute oral LD50 value in rats and the acute dermal LD50 value in rabbits exceeded 5 g/kg (Levenstein, 1975).
- Speicherklasse
- 10 - Combustible liquids
Chemie und Industrie
Verwendung und Herstellung
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
General Manufacturing InformationButanoic acid, 3-methyl-, (2E)-3,7-dimethyl-2,6-octadien-1-yl ester: ACTIVE
Anwendungen
BeschreibungGeranyl isovalerate has a rose odor with an apple-pineapple undertone and a sweet apple taste.
OccurrenceReported found in Eucalyptus citriodora Hook, kumquat peel oil, lovage root and lovage leaf
VerwendenGeranyl Isovalerate is a synthetic flavoring agent that is a moderately stable, light yellow liquid of fruity odor. it should be stored in glass or tin containers. it is used in fruit flavors such as apple or pear with applications in beverages, ice cream, candy, and baked goods at 4–11 ppm.
Darstellung
synthetischeBy direct esterification of geraniol with isovaleric acid under azeotropic conditions (Arctander, 1969).
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
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