Citronellylpropionat

Citronellyl propionate

HCID 8834CAS 141-14-0
TeilstruktursucheÄhnliche Strukturen suchen

Grundinformationen

Standard-SMILES
CCC(=O)OCCC(C)CCC=C(C)C
InChIKey
POPNTVRHTZDEBW-UHFFFAOYSA-N
Summenformel
C13H24O2
Durchschnittliche Molmasse
212,33 g/mol
Monoisotopische Masse
212,17763001

Überblick

Citronellyl propionate is a carboxylic ester.

Namen und Bezeichner

Bevorzugter Name
Citronellyl propionate
IUPAC
3,7-dimethyloct-6-enyl propanoate
Lokaler Name
Citronellylpropionat
Englischer Name
CITRONELLYL PROPIONATE
Summenformel
C13H24O2
Molmasse
212.33

Namen und Synonyme

Citronellyl propionate141-14-0Citronellyl propanoate6-Octen-1-ol, 3,7-dimethyl-, 1-propanoate6-Octen-1-ol, 3,7-dimethyl-, propanoate6-Octen-1-ol, 3,7-dimethyl-, propionate3,7-Dimethyl-6-octen-1-yl propionateFEMA No. 23163,7-Dimethyl-6-octen-1-ol propanoateCitronellyl propionate (natural)DTXSID80471873,7-Dimethyl-6-octen-1-yl propanoate
Weitere Namen anzeigen
FEMA 2316Citronellyl PropCitronellylpropionatcitronellylpropanoateCitronellol propionateCitronellyl propianoateCitronellyl n-proprionateCitronellyl propionate(kosher)
(1)-3,7-Dimethyloct-6-enyl propionateEINECS 205-461-3EINECS 278-466-1Propionic acid, ester with citronellol3,7-dimethyloct-6-en-1-yl propanoateAI3-2435887R1092U7JDTXCID6027187

Datenbank-Bezeichner

CAS
141-14-0、94086-40-5
PubChem CID
8834
DTXSID
DTXSID8047187
ChEMBL
CHEMBL3185956
ChEBI
CHEBI:171788
UNII
87R1092U7J
EC Number
205-461-3
Nikkaji
J133.559F、J368.009F

Eigenschaften

Berechnete Struktureigenschaften

XLogP
4,2
Polarare Oberfläche (TPSA)
26,3 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
8
Schwere Atome
15

Experimentelle und physikochemische Eigenschaften

LipidsFatty Acyls [FA] -> Fatty esters [FA07] -> Short fatty esters [FA0710]
FragrancesFragrance Ingredient (Citronellyl propionate) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.877-0.886
Flavoring AgentsEU Flavoring substances
Solubility · 2 Einträge

miscible with alcohol, most fixed oils; insoluble in water

1 ml in 4 ml 80% alcohol gives clear soln (in ethanol)

Physikochemische Eigenschaften

Siedepunkt
242 °C · 242 °C(lit.)
Dichte
0.877 g/mL · 0.877 g/mL at 25 °C(lit.)
Brechungsindex
20 · n20/D 1.444(lit.)
FEMA
2316 · 2316 | CITRONELLYL PROPIONATE
Flammpunkt
230 °F · >230 °F
Löslichkeit
Almost insoluble in water, soluble in alcohol and oils

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 3 Einträge

This chemical does not meet GHS hazard criteria for 99.2% (1638 of 1651) of all reports.

Not Classified

Aggregated GHS information provided per 1651 reports by companies from 3 notifications to the ECHA C&L Inventory.

Gefahrenhinweise

Regulatory Information · 3 Einträge

Chemical: 6-Octen-1-ol, 3,7-dimethyl-, propanoate

Regulation (EC) No 1831/2003 (amended)

6-Octen-1-ol, 3,7-dimethyl-, propanoate: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - 6-Octen-1-ol, 3,7-dimethyl-, propanoate: Human health tier I assessment
Hazard Classes and CategoriesNot Classified

Sicherheitsdaten

wgk
2
tsca
TSCA listed
RTECS-Nr.
RH3487500
Toxizität
Both the acute oral LD50 value in rats and the acute dermal LD50 value in rabbits exceeded 5 g/kg (Moreno, 1973).
Speicherklasse
10 - Combustible liquids

Chemie und Industrie

Pharmakologische Informationen

Cellular LocationsExtracellular

Verwendung und Herstellung

Use Classification · 3 Einträge

Fragrance Ingredients

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

General Manufacturing Information6-Octen-1-ol, 3,7-dimethyl-, 1-propanoate: ACTIVE
Anwendungen · 2 Einträge

OccurrenceReported found in tomato.

VerwendenCitronellyl Propionate is a synthetic flavoring agent that is a mod- erately stable, colorless liquid of light rose-fruity odor. it is practi- cally insoluble in water but is miscible with alcohol. it is stored in glass or tin containers. it has application in baked goods, candy, beverages, and ice cream at 3–19 ppm.

Darstellung

synthetischeBy direct esterification of citronellol with propionic acid under azeotropic conditions on using propionic anhydride.

Vor- und nachgelagerte Produkte

Anbieter50 Anbieter

南通润丰石油化工有限公司66017690 19952660367 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
清宁生物（江苏博泉生物科技有限公司）19352250998 · [email protected]
湖北云镁科技有限公司027-59206672 18995657604 · [email protected]
上海弘顺生物科技有限公司15901914505 · [email protected]

Zugehörige Reaktionen

0
Reaktionsaufzeichnung erstellen

Keine Reaktionsaufzeichnungen unter den aktuellen Filterkriterien.

Verknüpfte Notizen

Wird geladen…