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HCID 6548Erstellt: 27. Oktober 2026
(±)-3,7-Dimethyloctan-3-ol
3-OCTANOL, 3,7-DIMETHYL · FEMA 3060 · TETRAHYDROLINALOOL(SG)
https://huagongshe.com/de/chemical/6548
Identifikatoren & physikalische Daten
| CAS No. | 57706-88-4 |
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| Summenformel | C10H22O |
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| Durchschnittliche Molmasse | 158,28 g/mol |
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| Monoisotopische Masse | 158,16706532 g/mol |
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| SMILES | CCC(C)(O)CCCC(C)C |
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| InChIKey | DLHQZZUEERVIGQ-UHFFFAOYSA-N |
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| PubChem CID | 6548 |
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| ChEMBL | CHEMBL3183871 |
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| ChEBI | CHEBI:84242 |
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| EC No. | 201-133-9 |
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| DTXSID | DTXSID7029110 |
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| Lokaler Name | (±)-3,7-Dimethyloctan-3-ol |
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Chemische & physikalische Eigenschaften
| XLogP | 3,3 |
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| Polarare Oberfläche (TPSA) | 20,2 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 1 |
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| Frei drehbare Bindungen | 5 |
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| Schwere Atome | 11 |
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| Formalladung | 0 |
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| Komplexität | 99 |
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| Solvents | Solvents -> Alcohols (<C12) |
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| Duftstoffe | Fragrance Ingredient (Tetrahydrolinalool) -> IFRA transparency List |
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| LogP (Verteilungskoeffizient) | 3.540 |
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| Lebensmittelzusatzstoffe | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
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| Dichte | 0.823-0.8290.826 g/mL at 25 °C(lit.) |
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| Aromastoffe | EU Flavoring substances |
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| Löslichkeit | soluble in alcohol, most fixed oilsinsoluble in water1 ml in 2 ml 70% alcohol (in ethanol) |
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| Siedepunkt | 97 °C71-73 °C6 mm Hg(lit.) |
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| Dampfdruck | 0.01 [mmHg] |
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| Brechungsindex | 1.431-1.435n20/D 1.434(lit.) |
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| Physical Description | Dry PowderLiquidCBIClear colorless liquid[EPA ChAMP: Hazard Characterization: Terpenoid Tertiary Acohols and Related Esters - 2010]colourless liquid with a distinct floral odour |
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| Schmelzpunkt | 31.5°C |
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| Flammpunkt | 169 °F |
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Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 7.6% (139 of 1832) of reports.WarningH315 (92.4%): 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 1832 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Regulatorische Informationen | Chemical: 3-Octanol, 3,7-dimethyl-3-Octanol, 3,7-dimethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 3-Octanol, 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-dimethyloctan-3-ol (EC: 201-133-9)3,7-Dimethyl-3-octanol: Does not have an individual approval but may be used under an appropriate group standard |
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| Gefahrenübersicht | A moderate skin and eye irritantCauses primary irritation in dermal lethal-dose studies of rabbitsCauses somnolence in oral lethal-dose studies of rats[RTECS] Safe when used as a flavoring agent in food[JECFA] A skin and strong eye irritant[Sigma-Aldrich MSDS] |
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| Hazard Classes and Categories | Skin Irrit. 2 (92.4%)Flammable liquids - Category 4 |
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| Unerwünschte Wirkungen | Neurotoxin - Acute solvent syndrome |
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| Carcinogen Classification | No indication of carcinogenicity to humans (not listed by IARC). |
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| Wassergefährdungsklasse (WGK) | 1 |
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| RTECS-Nr. | RH0905000 |
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| R-Sätze (R) | 36/37/38 |
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| Gefahrensymbole | Xi |
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