Grundinformationen
- Standard-SMILES
CC(C)=CCC/C(C)=C/COC(=O)Cc1ccccc1- InChIKey
UXAIJXIHZDZMSK-FOWTUZBSSA-N- Summenformel
- C18H24O2
- Durchschnittliche Molmasse
- 272,4 g/mol
- Monoisotopische Masse
- 272,17763001
Überblick
Geranyl phenylacetate is a carboxylic ester.
Namen und Bezeichner
- Bevorzugter Name
- Geranyl phenylacetate
- IUPAC
- [(2E)-3,7-dimethylocta-2,6-dienyl] 2-phenylacetate
Namen und Synonyme
Geranyl phenylacetate102-22-7Phenylacetic acid, geranyl esterGeranyl alpha-toluateGeranyl .alpha.-toluateFEMA No. 2516BENZENEACETIC ACID, 3,7-DIMETHYL-2,6-OCTADIENYL ESTER, (E)-trans-3,7-Dimethyl-2,6-octadienyl phenylacetateEINECS 203-014-7NSC 147477BRN 5033401Acetic acid, phenyl-, 3,7-dimethyl-2,6-octadienyl ester, (E)-
Weitere Namen anzeigen
Benzeneacetic acid, (2E)-3,7-dimethyl-2,6-octadien-1-yl esterAI3-2414862A4GG7D57Acetic acid, phenyl-, geranyl esterBenzeneacetic acid, (2E)-3,7-dimethyl-2,6-octadienyl esterNSC-1474773,7-Dimethyl-2,6-octadienyl phenylacetate, (E)-3,7-Dimethyl-2,6-octadienyl benzeneacetate, (E)-
Datenbank-Bezeichner
- CAS
102-22-7- PubChem CID
- 5366044
- DTXSID
DTXSID1051513- ChEBI
CHEBI:173940- UNII
- 62A4GG7D57
- EC Number
- 203-014-7
- Nikkaji
- J182.151B、J233.740A
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 5,1
- Polarare Oberfläche (TPSA)
- 26,3 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 8
- Schwere Atome
- 20
- Formalladung
- 0
- Komplexität
- 342
Experimentelle und physikochemische Eigenschaften
FragrancesFragrance Ingredient (Geranyl phenylacetate) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.971-0.978
Flavoring AgentsEU Flavoring substances
Solubility
Insoluble in water; soluble in oils
1 mL in 4 mL 90% ethanol (in ethanol)
Boiling Point307-308 °C
Refractive Index1.501-1.512
Physical DescriptionYellow liquid; soft sweet honey-like herbaceous odour with floral undertones
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (1596 of 1596) of all reports.
Not Classified
Aggregated GHS information provided per 1596 reports by companies from 1 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Regulatory Information
Chemical: Benzeneacetic acid, 3,7-dimethyl-2,6-octadienyl ester, (E)-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Status: Cease Manufacture Update: 11-08-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/20024
Benzeneacetic acid, (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
Chemie und Industrie
Verwendung und Herstellung
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing InformationBenzeneacetic acid, (2E)-3,7-dimethyl-2,6-octadien-1-yl ester: ACTIVE
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