8,8-Dimethoxy-2,6-dimethyloctan-2-ol
Hydroxycitronellal dimethyl acetal
Daten werden ergänzt – lade die Seite später neu, um den aktuellen Stand zu sehen
Grundinformationen
- CAS
141-92-4- Standard-SMILES
COC(CC(C)CCCC(C)(C)O)OC- InChIKey
QCJVKUULZGKQDG-UHFFFAOYSA-N- Summenformel
- C12H26O3
- Durchschnittliche Molmasse
- 218,33 g/mol
- Monoisotopische Masse
- 218,18819469
Überblick
8,8-Dimethoxy-2,6-dimethyl-2-octanol is a tertiary alcohol.
Namen und Bezeichner
- Bevorzugter Name
- Hydroxycitronellal dimethyl acetal
- IUPAC
- 8,8-dimethoxy-2,6-dimethyloctan-2-ol
- Lokaler Name
- 8,8-Dimethoxy-2,6-dimethyloctan-2-ol
- Englischer Name
- 8,8-Dimethoxy-2,6-dimethyloctan-2-ol
- Summenformel
- C12H26O3
- Molmasse
- 218.33
Namen und Synonyme
Hydroxycitronellal dimethyl acetal8,8-Dimethoxy-2,6-dimethyloctan-2-ol141-92-4Laurine dimethyl acetal8,8-Dimethoxy-2,6-dimethyl-2-octanolHydroxycitronellal DMA2-Octanol, 8,8-dimethoxy-2,6-dimethyl-1,1-Dimethoxy-3,7-dimethyl-7-octanolFEMA No. 2585OCTANAL, 7-HYDROXY-3,7-DIMETHYL-, DIMETHYL ACETALNSC 764127-Hydroxy-3,7-dimethyloctanal dimethyl acetal
Weitere Namen anzeigen
FEMA 2585SKL1163Nsc76412hydroxycitronellaldmalaurinedimethylacetalHYDRCITRONELLAL DIMETHYL ACETALHydroxycitronella dimethyl acetal
DTXSID4047547Citronellal hydrate dimethylacetalEINECS 205-510-9UNII-K989V651N4AI3-05824NSC-76412K989V651N4DTXCID2027547
Datenbank-Bezeichner
- CAS
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 2,4
- Polarare Oberfläche (TPSA)
- 38,7 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 8
- Schwere Atome
- 15
- Formalladung
- 0
- Komplexität
- 153
Experimentelle und physikochemische Eigenschaften
FragrancesFragrance Ingredient (Hydroxycitronellal dimethyl acetal) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.925-0.930
Flavoring AgentsEU Flavoring substances
Solubility
insoluble in water and glycerol; slightly soluble in alcohol; soluble in oils
1 ml in 2 ml 50% alcohol (in ethanol)
Boiling Point
252.00 °C. @ 760.00 mm Hg
252 °C
Refractive Index1.441-1.444
Physical Descriptioncolourless, slightly oily liquid with delicate green floral taste and floral odour
Physikochemische Eigenschaften
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 97.5% (1549 of 1589) of all reports.
Not Classified
Aggregated GHS information provided per 1589 reports by companies from 4 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Regulatory Information
Chemical: 2-Octanol, 8,8-dimethoxy-2,6-dimethyl-
2-Octanol, 8,8-dimethoxy-2,6-dimethyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesNot Classified
Toxikologische Informationen
Toxicity Summary
The existing information was reviewed by the independent Expert Panel for Fragrance Safety and supports the use of hydroxycitronellal dimethyl acetal as described in this fragrance ingredient safety assessment. Data from read-across analog hydroxycitronellal diethyl acetal (CAS # 7779-94-4) show that hydroxycitronellal dimethyl acetal is not expected to be genotoxic. The repeated dose, reproductive, and local respiratory toxicity endpoints were evaluated using the Threshold of Toxicological Concern (TTC) for a Cramer Class I material, and the exposure is below the TTC (0.03 mg/kg/day, 0.03 mg/kg/day, and 1.4 mg/day, respectively). Data show that there are no safety concerns for skin sensitization under the current declared levels of use. It is not expected to be photoirritating/photoallergenic based on an evaluation of the ultraviolet/visible (UV/Vis) spectra.
Environmental Fate/Exposure Summary
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
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing Information2-Octanol, 8,8-dimethoxy-2,6-dimethyl-: ACTIVE
Anwendungen
BeschreibungHydroxycitronellal dimethyl acetal has a light, green, flowery odor similar to hydroxycitronellal. This substance is usually prepared from hydroxycitronellal and methyl alcohol in the presence of a catalyst.
OccurrenceReported found in kumquat peel oil
VerwendenFlavoring agent in foods, perfumery.
Darstellung
synthetischeUsually prepared from hydroxycitronellal and methyl alcohol in the presence of a catalyst.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Zugehörige Reaktionen
2
Notizen zur Verbindung
Wird geladen…