7-Methoxy-3,7-dimethyloctanal
Grundinformationen
- CAS
3613-30-7- Standard-SMILES
COC(C)(C)CCCC(C)CC=O- InChIKey
IDWULKZGRNHZNR-UHFFFAOYSA-N- Summenformel
- C11H22O2
- Durchschnittliche Molmasse
- 186,29 g/mol
- Monoisotopische Masse
- 186,16197994
Überblick
7-methoxy-3,7-dimethyloctanal has been reported in Houttuynia with data available.
Namen und Bezeichner
- Bevorzugter Name
- 7-Methoxy-3,7-Dimethyloctanal
- IUPAC
- 7-methoxy-3,7-dimethyloctanal
- Lokaler Name
- 7-Methoxy-3,7-dimethyloctanal
- Englischer Name
- 7-Methoxy-3,7-dimethyloctanal
- Summenformel
- C11H22O2
- Molmasse
- 186.29
Namen und Synonyme
7-Methoxy-3,7-dimethyloctanal3613-30-7MethoxycitronellalOctanal, 7-methoxy-3,7-dimethyl-7-MethoxycitronellalMethoxydihydrocitronellalHydroxycitronellal methyl ether3,7-Dimethyl-7-methoxy-1-octanalDTXSID7038818BRN 1904467EINECS 222-784-5UNII-261VCL42SZ
Weitere Namen anzeigen
METHOXY CITRONELLALMethoxycitronellal 77-METHOXY-3,7-DIMETH7-METHOXY CITRONELLAL7-methoxy-3,7-dimethyl-octanahydroxycitronellalmethylether7-methoxy-3.7-dimethylactanal
1-OCTANAL, 3,7-DIMETHYL-7-METHOXY-261VCL42SZAI3-36183J8.182EDTXCID50188187-METHOXY-6,7-DIHYDROCITRONELLAL7-METHOXY-3,7-DIMETHYL-1-OCTANALRefChem:106282
Datenbank-Bezeichner
- CAS
3613-30-7- PubChem CID
- 19223
- DTXSID
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,2
- Polarare Oberfläche (TPSA)
- 26,3 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 7
- Schwere Atome
- 13
- Formalladung
- 0
- Komplexität
- 141
Experimentelle und physikochemische Eigenschaften
FragrancesFragrance Ingredient (Methoxycitronellal) -> IFRA transparency List
Physical DescriptionLiquid
Physikochemische Eigenschaften
- Siedepunkt
- 60 °C · 60 °C (0.4 mmHg)
- Dichte
- 0.87 · 0.87
- Brechungsindex
- 1.4364 · 1.4364-1.4384
- Flammpunkt
- 98 °C · 98 °C
- Löslichkeit
- Almost insoluble in water, soluble in alcohol and oils, fairly soluble in Propylene glycol.
- Aggregatzustand
- slightly oily liquid
- Farbe
- A colourless liquid.
- Geruch (Odor)
- 100 % · at 100.00 %. fresh melon floral lily sweet
- Geruchsart
- floral
- Kosmetik-Inhaltsstoffe Funktionen
- PERFUMING
- InChI
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 99.2% (127 of 128) of all reports.
Not Classified
Aggregated GHS information provided per 128 reports by companies from 2 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Regulatory Information
Chemical: Octanal, 7-methoxy-3,7-dimethyl-
Octanal, 7-methoxy-3,7-dimethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Octanal, 7-methoxy-3,7-dimethyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
REACH registered substance: 7-methoxy-3,7-dimethyloctanal (EC: 222-784-5)
Octanal, 7-methoxy-3,7-dimethyl-: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Chemicals with limited data availability that are used in fragrances: Human health tier II assessment
Hazard Classes and CategoriesNot Classified
Sicherheitsdaten
- wgk
- WGK 2
- tsca
- TSCA listed
- hs_code
- 29124990
- risk_code
- 36/37/38
- Toxizität
- Both the acute oral LD50 value in rats and the acute dermal LD50 value in rabbits exceeded 5 g/kg (Moreno, 1975). Quistad, Staiger & Schooley (1974) described methoxycitronellal as non-toxic to mammals, giving the LD50 in rats again as > 5 g/kg
- hazard_code
- Xi
- safety_code
- 24/25
Chemie und Industrie
Verwendung und Herstellung
U.S. Production2023: 116,668 lb
Consumer UsesFragrance
Industry UsesFragrance
Use ClassificationFragrance Ingredients
General Manufacturing Information
Other (requires additional information)
Octanal, 7-methoxy-3,7-dimethyl-: ACTIVE
Anwendungen
OccurrenceHas apparently not been reported to occur in nature.
VerwendenIt is used in many types of floral fragrances, in floral bases, particularly recommended for Ylang-Ylang bases. It blends very well with the “rose” alcohols, with the Cinnamic derivatives and with the Eugenols, Benzylacetate and other common ingredients. It needs more fixation than Hydroxycitronellal which in itself is a fixative, but it also offers fresh-green, almost vegetable-green notes, not found in Hydroxycitronellal, and not found so pleasantly effective in Cyclamen aldehyde. Its softness makes it easy to use, hard to overdose.
Darstellung
synthetischeBy catalytic methylation of hydroxycitronellal (Arctander, 1969)
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