Grundinformationen
- CAS
141-11-7- Standard-SMILES
C=C(C)CCCC(C)CCOC(C)=O- InChIKey
WNXJCQNXNOOMDJ-UHFFFAOYSA-N- Summenformel
- C12H22O2
- Durchschnittliche Molmasse
- 198,3 g/mol
- Monoisotopische Masse
- 198,16197994
Namen und Bezeichner
- Bevorzugter Name
- Rhodinyl acetate
- IUPAC
- 3,7-dimethyloct-7-enyl acetate
- Lokaler Name
- Rhodinylacetat
- Englischer Name
- RHODINYL ACETATE
- Summenformel
- C12H22O2
- Molmasse
- 198.3
Namen und Synonyme
Rhodinyl acetate141-11-73,7-dimethyloct-7-en-1-yl acetate3,7-dimethyloct-7-enyl acetatealpha-Citronellyl acetate7-Octen-1-ol, 3,7-dimethyl-, 1-acetate7-OCTEN-1-OL, 3,7-DIMETHYL-, ACETATE3,7-Dimethyl-7-octen-1-yl acetate3,7-Dimethyl-7-octen-1-yl ethanoateRhodinyl ethanoateRhodinol acetate(S)-3,7-Dimethyloct-7-enyl acetate
Weitere Namen anzeigen
Rhodinylacetatrhodinolacetatealpha-citronellylacetateRHODINYL ACETATE USP/EP/BP3,7-Dimethyl-7-octenyl=acetate3,7-dimethyl-7-octen-1-oacetate3,7-dimethyl-oct-7-enyl acetate3,7-Dimethyl-7-octen-1-ylacetate
EINECS 205-458-7BRN 1906633FEMA 2981.alpha.-Citronellyl acetateSCHEMBL891472DTXSID00861810LMFA07011010AKOS015911034
Datenbank-Bezeichner
- CAS
141-11-7、94481-73-9
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 4,1
- Polarare Oberfläche (TPSA)
- 26,3 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 8
- Schwere Atome
- 14
- Formalladung
- 0
- Komplexität
- 185
Experimentelle und physikochemische Eigenschaften
LipidsFatty Acyls [FA] -> Fatty esters [FA07] -> Short fatty esters [FA0710]
FragrancesFragrance Ingredient (Rhodinyl acetate) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.895-0.908
Flavoring AgentsEU Flavoring substances
Solubility
soluble in alcohol, most fixed oils; insoluble in glycerol, propylene glycol, water
1 ml in 2 ml 80% alcohol remains in soln to 10 ml (in ethanol)
Boiling Point237 °C
Refractive Index1.450-1.458
Physical Descriptioncolourless to slightly yellow liquid/light, fresh, rose-like 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
Warning
H315 (97.3%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P273, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1439 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: 7-Octen-1-ol, 3,7-dimethyl-, acetate
7-Octen-1-ol, 3,7-dimethyl-, acetate: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - 7-Octen-1-ol, 3,7-dimethyl-, acetate: Environment tier I assessment
Hazard Classes and CategoriesSkin Irrit. 2 (97.3%)
Sicherheitsdaten
- tsca
- TSCA listed
- ridadr
- UN 1993 3/PG 3
- RTECS-Nr.
- RH3425000
- risk_code
- 10
- Toxizität
- The acute oral LD50 was reported to be > 5 ml/kg in the rat (Levenstein, 1973a). The acute dermal LD50 was reported to be > 5 ml/kg in the rabbit (Levenstein, 1973b).
- safety_code
- 16-26-36
Chemie und Industrie
Pharmakologische Informationen
Cellular LocationsExtracellular
Verwendung und Herstellung
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
General Manufacturing Information7-Octen-1-ol, 3,7-dimethyl-, 1-acetate: ACTIVE
Anwendungen
OccurrenceFound in geranium oil.
VerwendenPerfumery, flavoring agent.
Darstellung
synthetischeBy acetylation of rhodinol from geranium oil.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Anbieter19 Anbieter
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Syntechem Co.,Ltd[email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
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