HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
(-)-3,7-Dimethyloct-6-en-1-ol
L-CITRONELLOL · (-)-beta-Citronellol · (-)-β-Citronellol · B-Rhodinol · (-)-Citronellol · (-)-3,7-Dimethyloct-6-en-1-ol · Ai3-09552 · L-RHODINOL
Identifikatoren & physikalische Daten
| CAS No. | 7540-51-4 |
|---|---|
| Summenformel | C10H20O |
| Durchschnittliche Molmasse | 156,26 g/mol |
| Monoisotopische Masse | 156,15141526 g/mol |
| SMILES | CC(C)=CCC[C@H](C)CCO |
| InChIKey | QMVPMAAFGQKVCJ-JTQLQIEISA-N |
| PubChem CID | 7793 |
| ChEMBL | CHEMBL1907995 |
| ChEBI | CHEBI:88 |
| EC No. | 231-415-7 |
| DTXSID | DTXSID1041550 |
| Lokaler Name | (-)-3,7-Dimethyloct-6-en-1-ol |
Chemische & physikalische Eigenschaften
| XLogP | 3,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 20,2 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 5 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 112 |
| Lipide | Lipids -> Prenol Lipids [PR] -> Isoprenoids [PR01] -> C10 isoprenoids (monoterpenes) [PR0102] |
| Kosmetika | Cosmetics ingredient -> BaseFlavorFragranceMoisturizing/HumectantOther (Specify) |
| Duftstoffe | Fragrance substance (Citronellol) -> IFRA amendment 49Fragrance Ingredient (l-Citronellol) -> IFRA transparency List |
| Aromastoffe | EU Flavoring substances |
| Siedepunkt | 225.00 °C. @ 760.00 mm Hg225-226 °C(lit.) |
| Dichte | 0.856 g/mL at 25 °C(lit.) |
| Dampfdruck | ~0.02 mm Hg ( 25 °C) |
| Brechungsindex | n20/D 1.456 |
| FEMA | 2309 | DL-CITRONELLOL |
| Flammpunkt | 210 °F |
| Lagerbedingungen | Store below +30°C. |
| Löslichkeit | Chloroform (Soluble), Ethyl Acetate (Slightly), Methanol (Soluble)325.6mg/L at 20℃ |
| Aggregatzustand | liquid |
| pKa (Säurekonstante) | 15.13±0.10(Predicted) |
| Farbe | Colourless |
| Wichte | 0.87 |
| Geruch | at 100.00 %. floral rose waxy geranium oil powdery |
| Geruchsart | floral |
| Biologische Quelle | synthetic |
| Merck | 14,2330 |
| JECFA Number | 1219 |
| BRN | 1721505 |
| Hauptanwendungen | cleaning productscosmeticsflavors and fragrancesfood and beveragespersonal care |
| Kosmetik-Inhaltsstoffe Funktionen | PERFUMINGFRAGRANCE |
| InChI | 1S/C10H20O/c1-9(2)5-4-6-10(3)7-8-11/h5,10-11H,4,6-8H2,1-3H3/t10-/m0/s1 |
| InChIKey | QMVPMAAFGQKVCJ-JTQLQIEISA-N |
| SMILES | C[C@H](CCO)CC\C=C(\C)C |
| LogP (Verteilungskoeffizient) | 3.66 at 40℃ |
| EPA chemische Informationen | 6-Octen-1-ol, 3,7-dimethyl-, (3S)- (7540-51-4) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): 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 394 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: 6-Octen-1-ol, 3,7-dimethyl-, (S)-Regulation (EC) No 1831/2003 (amended)Status: Active Update: 30-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/256006-Octen-1-ol, 3,7-dimethyl-, (S)-: Does not have an individual approval but may be used under an appropriate group standard |
| Weitere Sicherheitsinformationen | IMAP assessments - 6-Octen-1-ol, 3,7-dimethyl-, (S)-: Human health tier I assessment |
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| F | 8-10 |
| Wassergefährdungsklasse (WGK) | 2 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29052220 |
| R-Sätze (R) | 36/37/38 |
| Toxizität | LD50 orally in Rabbit: 3450 mg/kg LD50 dermal Rabbit 2650 mg/kg |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36 |
| Lagerklasse | 10 - Combustible liquids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2Skin Sens. 1 |
| Selbstentzündungstemperatur | 240 °C |
Anwendungen & Verwendung
Verwenden
L-Citronellol as fragrance ingredient.