Grundinformationen
- CAS
10339-55-6- Standard-SMILES
C=CC(C)(O)CC/C=C(\C)CC- InChIKey
KRLBLPBPZSSIGH-CSKARUKUSA-N- Summenformel
- C11H20O
- Durchschnittliche Molmasse
- 168,28 g/mol
- Monoisotopische Masse
- 168,15141526
Überblick
a fragrance ingredient; structure in first source
Namen und Bezeichner
- Bevorzugter Name
- Ethyl linalool
- IUPAC
- (6E)-3,7-dimethylnona-1,6-dien-3-ol
- Lokaler Name
- 3,7-Dimethylnona-1,6-dien-3-ol
- Englischer Name
- Ethyl linalool
- Summenformel
- C11H20O
- Molmasse
- 168.28
Namen und Synonyme
Ethyl linalool10339-55-63,7-Dimethyl-1,6-nonadien-3-olDTXSID90474151,6-NONADIEN-3-OL, 3,7-DIMETHYL-EINECS 233-732-6AI3-35814SF2JS9GF5TDTXCID7027415EC 233-732-6MethyllinaloolRefChem:596251
Weitere Namen anzeigen
3,7-dimethylnona-1,6-dien-3-ol3,7-dimethylnona-1,6-dienMETHYL LINALOOLEthyl LinanloolRhodinol (Nature)3,7-dimethylnona-Ethyllinalool Technical
ETHYL LINALOOL [INCI]EthylLinanlool(6E)-3,7-dimethylnona-1,6-dien-3-olEthyl linalool, (E)-(+/-)-Ethyl linalool, (E)-Ethyl linalool, (E)-(+/-)-5AR9L4D49U92590-71-1
Datenbank-Bezeichner
- CAS
10339-55-6、92590-71-1- PubChem CID
- 6433547
- DTXSID
DTXSID9047415- ChEMBL
CHEMBL3186789- UNII
- 5AR9L4D49U
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,2
- Polarare Oberfläche (TPSA)
- 20,2 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 5
- Schwere Atome
- 12
- Formalladung
- 0
- Komplexität
- 170
Experimentelle und physikochemische Eigenschaften
FragrancesFragrance Ingredient (3,7-Dimethyl-1,6-nonadien-3-ol) -> IFRA transparency List
Physical DescriptionLiquid; CBI
Physikochemische Eigenschaften
- Siedepunkt
- 132 ℃ · 132℃ (86 Torr)
- Dichte
- 0.857 · 0.857±0.06 g/cm3 (20 ºC 760 Torr)
- Dampfdruck
- 18 Pa · 18Pa at 25℃
- Brechungsindex
- 1.4603 · 1.4603 (589.3 nm 25℃)
- Flammpunkt
- 90.9 · 90.9±15.0℃
- pka
- 14.45 · 14.45±0.29(Predicted)
- Farbe
- Colourless slightly oily liquid.
- Geruch (Odor)
- 100 % · at 100.00 %. fresh bois de rose herbal wet green lavender bergamot
- Geruchsart
- floral
- Wasserlöslichkeit
- 656 mg/L · 656mg/L at 20℃
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 10.5% (188 of 1792) of reports.
Warning
H315 (88.1%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P272, P280, P302+P352, P305+P351+P338, P321, P332+P317, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1792 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: 1,6-Nonadien-3-ol, 3,7-dimethyl-
1,6-Nonadien-3-ol, 3,7-dimethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,6-Nonadien-3-ol, 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: 3,7-dimethylnona-1,6-dien-3-ol (EC: 233-732-6)
3,7-dimethyl-1,6-nonadien-3-ol: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (88.1%)
Toxikologische Informationen
Toxicity Summary
The existing information was reviewed by the independent Expert Panel for Fragrance Safety and supports the use of 3,7-Dimethyl-1,6-nonadien-3-ol as described in this fragrance ingredient safety assessment. Data for 3,7-Dimethyl-1,6-nonadien-3-ol and from read-across analog linalool show that 3,7-dimethyl-1,6-nonadien-3-ol is not expected to be genotoxic. Data for read-across analog linalool provide a calculated Margin of Exposure (MOE) greater than 100 for the repeated dose toxicity, reproductive toxicity, and local respiratory toxicity endpoints, and show that there are no skin sensitization safety concerns for 3,7-dimethyl-1,6-nonadien-3-ol under the current declared levels of use. 3,7-Dimethyl-1,6-nonadien-3-ol s not expected to be photoirritating/photoallergenic based on evaluation of the ultraviolet/visible (UV/Vis) spectra.
Chemie und Industrie
Verwendung und Herstellung
U.S. Production2023: 8,500,000 - <10,000,000 lb
Consumer UsesFragrance
Industry UsesOther
Household ProductsInformation on 78 consumer products that contain Ethyl Linalool in the following categories is provided:
Use ClassificationFragrance Ingredients
General Manufacturing Information
Soap, Cleaning Compound, and Toilet Preparation Manufacturing
1,6-Nonadien-3-ol, 3,7-dimethyl-: ACTIVE
Anwendungen
OccurrenceHas apparently not been reported to occur in nature.
VerwendenEthyl Linalool is fresh bois de rose herbal wet green lavender bergamot. It has a floral, fresh, bergamot character and is sweeter and less agrestic than Linalool. As with Linalool, it is used in a wide variety of notes for floral bouquets.
Darstellung
synthetischeFrom methyl ethyl ketone and acetylene through a series of reactions (Bedoukian, 1967).
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