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1-Dodecanol
LAURYL ALCOHOL · Fatty alcohol · DODECANOL · DODECAN-1-OL · lauryl · dodecyl · Pisol · DODECYL ALCOHOL
Identifikatoren & physikalische Daten
| CAS No. | 112-53-8 |
|---|---|
| Summenformel | C12H26O |
| Durchschnittliche Molmasse | 186,33 g/mol |
| Monoisotopische Masse | 186,19836545 g/mol |
| SMILES | CCCCCCCCCCCCO |
| InChIKey | LQZZUXJYWNFBMV-UHFFFAOYSA-N |
| PubChem CID | 8193 |
| ChEMBL | CHEMBL24722 |
| ChEBI | CHEBI:28878 |
| EC No. | 203-982-0 |
| DTXSID | DTXSID5026918 |
Chemische & physikalische Eigenschaften
| XLogP | 5,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 20,2 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 10 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 81 |
| LogP (Verteilungskoeffizient) | log Kow = 5.135.4 |
| Geruch | CHARACTERISTIC FATTY ODORUNPLEASANT AT HIGH CONCN BUT DELICATE & FLORAL ON DILUTIONFatty repulsive odor |
| Geschmack | FATTY, WAXY FLAVOR |
| Dichte | 0.831 at 75.2 °F (USCG, 1999) - Less dense than waterwill float0.8309 at 24 °C/4 °CDensity (at 24 °C): 0.83 g/cm³Relative density of the vapour/air-mixture at 20 °C (air = 1): 1.000.830-0.8360.833 g/mL at 25 °C(lit.) |
| Viscosity | 18.8 mPa-s at 20 °C21.7 mm²/s at 20 °C |
| Color/Form | Leaflets from dilute alcoholCOLORLESS LIQ AT ROOM TEMPCRYSTALLINE OR FLAKES BELOW 20 °CColorless solidCRYSTALLINE SOLID |
| Löslichkeit | In water, 4 mg/L at 25 °CSoluble in ethanol, etherslightly soluble in benzeneSoluble in two parts of 70% alcoholSOL IN ALCOHOL & ETHERINSOL IN WATERInsolubleSolubility in water, g/l at 25 °C: 0.004 (very poor)water: slightly soluble1g/L at 23°C |
| Flammpunkt | 260 °F (USCG, 1999)127 °C260 °F (127 °C) (Closed cup)121 °C c.c.>230 °F |
| Siedepunkt | 498 °F at 760 mmHg (USCG, 1999)259 °C at 760 mm HgBP: 235.7 °C at 400 mm Hg213 °C at 200 mm Hg192 °C at 100 mm Hg177.8 °C at 60 mm Hg167.2 °C at 40 mm Hg150 °C at 20 mm Hg134.7 °C at 10 mm Hg120.2 °C at 5 mm Hg91.0 °C at 1.0 mm Hgat 101.3kPa: 250 °C260-262 °C(lit.) |
| Decomposition | When heated to decomposition it emits acrid smoke and fumes. |
| Schmelzpunkt | 75 °F (USCG, 1999)24 °C22-26 °C(lit.) |
| Dampfdichte | 6.43 (AIR= 1)Relative vapor density (air = 1): 6.47.4 (vs air) |
| Dampfdruck | 0.1 mm Hg ( 20 °C) |
| Brechungsindex | n20/D 1.442(lit.) |
| FEMA | 2617 | LAURYL ALCOHOL |
| Lagerbedingungen | Store below +30°C. |
| Aggregatzustand | Liquid |
| pKa (Säurekonstante) | 15.20±0.10(Predicted) |
| Farbe | APHA: ≤10 |
| Geruch | Typical fatty alcohol odorsweet. |
| Geruchsart | waxy |
| Biologische Quelle | synthetic |
| Explosionsgrenze | 4% |
| Spezifische Wärmekapazität | Cp(liquid): 2.35 J/(g·K), at 25℃ |
| JECFA Number | 109 |
| Merck | 14,3405 |
| BRN | 1738860 |
| Henry-Konstante | 1.2×10-1 mol/(m3Pa) at 25℃, Brockbank (2013) |
| Dielektrizitätskonstante | 6.5(24℃) |
| Kosmetik-Inhaltsstoffe Funktionen | EMULSION STABILISINGSURFACTANT - EMULSIFYINGSKIN CONDITIONING - EMOLLIENTVISCOSITY CONTROLLING |
| InChI | 1S/C12H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h13H,2-12H2,1H3 |
| InChIKey | LQZZUXJYWNFBMV-UHFFFAOYSA-N |
| SMILES | CCCCCCCCCCCCO |
| LogP (Verteilungskoeffizient) | 5.4 at 23℃ |
| CAS Datenbank | 112-53-8(CAS DataBase Reference) |
| NIST chemische Informationen | 1-Dodecanol(112-53-8) |
| EPA chemische Informationen | 1-Dodecanol (112-53-8) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 2.2% (85 of 3888) of reports.WarningH319 (83.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H400 (85.7%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]H410 (14%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]H411 (24.8%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]P264+P265, P273, P280, P305+P351+P338, P337+P317, P391, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 3888 reports by companies from 38 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 85 of 3888 reports by companies.There are 37 notifications provided by 3803 of 3888 reports by companies with hazard statement code(s).Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Regulatorische Informationen | Chemical: 1-Dodecanol1-Dodecanol is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Dodecanol 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)2008/127, Reg. (EU) 2017/195, Reg. (EU) 2021/745, Reg. (EU) 2022/1251, Reg. (EU) No 540/2011, Reg. (EU) No 918/2014, Reg. (EU)2020/1160Status: Active Update: 09-05-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/154241-Dodecanol: Does not have an individual approval but may be used under an appropriate group standard |
| Weitere Sicherheitsinformationen | IMAP assessments - 1-Dodecanol: Human health tier I assessment |
| DOT-Kennzeichnung | Class 9 |
| Brandgefahren |
Anwendungen & Verwendung
Occurrence
Reported found in the oil of Mexican lime and in the oil from flowers of Furcraea gigantean. Also reported found in apple, banana, sour cherry, citrus peel oils, melon, pineapple, potato, thymus, cheeses, butter, milk powder, chicken and beef fat, cooked pork, beer, whiskies, white wine, peanuts, beans, mushrooms, mango, coriander seed and leaf, rice, Bourbon vanilla, endive, crab, clam, Cape gooseberry, pawpaw and maté.
Verwenden
1-Dodecanol is used in chemical formulations for a variety of purposes, including as an emulsion stabilizer, a skin-conditioning emollient, and a viscosity-increasing agent.
Herstellung & Synthese
synthetische
Commercially 1-Dodecanol may be prepared by hydrogenation of lauric acid; normally employed as a replacement for the corresponding aldehyde.