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Dimethylhexadecylamine
Dimethyl palmitamine · N,N-DIMETHYLHEXADECYLAMINE · DMA16 · CETYLDIMETHYLAMINE · N-Cetyldimethylamine · Palmityl Dimethyl Amine · N,N-dimethyl-1-aminohexadecane · Adma 16
Identifikatoren & physikalische Daten
| CAS No. | 112-69-6 |
|---|---|
| Summenformel | C18H39N |
| Durchschnittliche Molmasse | 269,5 g/mol |
| Monoisotopische Masse | 269,30825025 g/mol |
| SMILES | CCCCCCCCCCCCCCCCN(C)C |
| InChIKey | NHLUVTZJQOJKCC-UHFFFAOYSA-N |
| PubChem CID | 16221 |
| ChEMBL | CHEMBL1877748 |
| EC No. | 203-997-2 |
| DTXSID | DTXSID9026924 |
Chemische & physikalische Eigenschaften
| XLogP | 8 |
|---|---|
| Polarare Oberfläche (TPSA) | 3,2 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 15 |
| Schwere Atome | 19 |
| Formalladung | 0 |
| Komplexität | 154 |
| Physical Description | Dimethyl hexadecanamine appears as a clear yellow colored liquid with a fishlike odor. Insoluble in water and less dense than water. Hence floats on water. Contact may irritate skin, eyes and mucous membranes. May be toxic by ingestion, inhalation or skin absorption. Used to make other chemicals.Clear yellow liquid with a fishy odor[CAMEO] Clear light yellow liquid[Sigma-Aldrich MSDS] |
| Kovats Retention Index | 1894 |
| Schmelzpunkt | 12°C |
| Siedepunkt | 148 °C / 2mmHg |
| Dichte | 0.801 g/mL at 20 °C (lit.) |
| Dampfdruck | 0.02-0.36Pa at 20-50℃ |
| Brechungsindex | n20/D 1.444 |
| Flammpunkt | 147°C |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| Löslichkeit | Insoluble in waterChloroform (Slightly), Methanol (Slightly) |
| Aggregatzustand | Liquid |
| pKa (Säurekonstante) | 9.78±0.28(Predicted) |
| Farbe | Colorless to Almost colorless |
| BRN | 1755921 |
| Kosmetik-Inhaltsstoffe Funktionen | ANTISTATICHAIR CONDITIONINGSURFACTANT - EMULSIFYING |
| InChI | 1S/C18H39N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(2)3/h4-18H2,1-3H3 |
| InChIKey | NHLUVTZJQOJKCC-UHFFFAOYSA-N |
| SMILES | CCCCCCCCCCCCCCCCN(C)C |
| LogP (Verteilungskoeffizient) | 1.3-5.1 at 20℃ and pH7.1-8.8 |
| Oberflächenspannung | 26.5-32.2mN/m at 1g/L and 25℃ |
| CAS Datenbank | 112-69-6(CAS DataBase Reference) |
| NIST chemische Informationen | 1-Hexadecanamine, n,n-dimethyl-(112-69-6) |
| EPA chemische Informationen | Dimethylcetylamine (112-69-6) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 0.5% (4 of 771) of reports.DangerH302 (88.2%): Harmful if swallowed [Warning Acute toxicity, oral]H314 (99.2%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]H318 (26.3%): Causes serious eye damage [Danger Serious eye damage/eye irritation]H400 (88.1%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]H410 (23%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]P260, P264, P264+P265, P270, P273, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P391, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 771 reports by companies from 23 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 4 of 771 reports by companies.There are 22 notifications provided by 767 of 771 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-Hexadecanamine, N,N-dimethyl-1-Hexadecanamine, N,N-dimethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Hexadecanamine, N,N-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)Status: Active Update: 25-09-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/149321-Hexadecanamine, N,N-dimethyl-: Does not have an individual approval but may be used under an appropriate group standard |
| Weitere Sicherheitsinformationen | IMAP assessments - Tertiary aliphatic (C12-22) and fatty amines: Human health tier II assessment |
| DOT-Kennzeichnung | Corrosive |
| Brandgefahren | Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:Combustible material: may burn but does not ignite readily. When heated, vapors may form explosive mixtures with air: indoors, outdoors and sewers explosion hazards. Those substances designated with a (P) may polymerize explosively when heated or involved in a fire. Corrosives in contact with metals may evolve flammable hydrogen gas. Containers may explode when heated. Runoff may pollute waterways. Substance may be transported in a molten form. (ERG, 2024) |
| Gesundheitsgefahren | Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:TOXIC and/or CORROSIVEinhalation, ingestion or skin contact with material may cause severe injury or death. Methyl bromoacetate (UN2643) is an eye irritant/lachrymator (causes flow of tears). Contact with molten substance may cause severe burns to skin and eyes. Avoid any skin contact. Fire may produce irritating, corrosive and/or toxic gases. Runoff from fire control or dilution water may be corrosive and/or toxic and cause environmental contamination. (ERG, 2024) |
| Gefahrenübersicht | Causes burnsInhalation may cause corrosive injuries to upper respiratory tract[Sigma-Aldrich MSDS] |
| Reaktive Gruppe | Amines, Phosphines, and Pyridines |
| Reactivity Profile | DIMETHYL HEXADECANAMINE neutralizes acids in exothermic reactions to form salts plus water. May be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen may be generated in combination with strong reducing agents, such as hydrides. |
| Air and Water Reactions | Insoluble in water. |
| Hazard Classes and Categories | Acute Tox. 4 (88.2%)Skin Corr. 1B (99.2%)Eye Dam. 1 (26.3%)Aquatic Acute 1 (88.1%)Aquatic Chronic 1 (23%)Acute toxicity - category 4Skin corrosion - category 1BSpecific target organ toxicity (single exposure) - category 3 |
| Brandbekämpfung | Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:SMALL FIRE: Dry chemical, CO2 or water spray.LARGE FIRE: Dry chemical, CO2, alcohol-resistant foam or water spray. If it can be done safely, move undamaged containers away from the area around the fire. Dike runoff from fire control for later disposal.FIRE INVOLVING TANKS, RAIL TANK CARS OR HIGHWAY TANKS: Fight fire from maximum distance or use unmanned master stream devices or monitor nozzles. Do not get water inside containers. Cool containers with flooding quantities of water until well after fire is out. Withdraw immediately in case of rising sound from venting safety devices or discoloration of tank. ALWAYS stay away from tanks in direct contact with flames. (ERG, 2024) |
| Erste Hilfe | Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:Refer to the "General First Aid" section. Specific First Aid: For corrosives, in case of contact, immediately flush skin or eyes with running water for at least 30 minutes. Additional flushing may be required. Removal of solidified molten material from skin requires medical assistance. (ERG, 2024) |
| Freisetung ohne Brand | Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area. Do not touch damaged containers or spilled material unless wearing appropriate protective clothing. Stop leak if you can do it without risk. Prevent entry into waterways, sewers, basements or confined areas. Absorb or cover with dry earth, sand or other non-combustible material and transfer to containers. DO NOT GET WATER INSIDE CONTAINERS. (ERG, 2024) |
| Isolation and Evacuation | Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:IMMEDIATE PRECAUTIONARY MEASURE: Isolate spill or leak area in all directions for at least 50 meters (150 feet) for liquids and at least 25 meters (75 feet) for solids.SPILL: Increase the immediate precautionary measure distance, in the downwind direction, as necessary.FIRE: If tank, rail tank car or highway tank is involved in a fire, ISOLATE for 800 meters (1/2 mile) in all directionsalso, consider initial evacuation for 800 meters (1/2 mile) in all directions. (ERG, 2024) |
| Personal Protective Equipment (PPE) | Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:Wear positive pressure self-contained breathing apparatus (SCBA). Wear chemical protective clothing that is specifically recommended by the manufacturer when there is NO RISK OF FIRE. Structural firefighters' protective clothing provides thermal protection but only limited chemical protection. (ERG, 2024) |
| Unerwünschte Wirkungen | Dermatotoxin - Skin burns. |
| Toxizitätsübersicht | Safe in the present practices of use and concentration. Ingredient, concentration, and use information are available in documents discoverable at https://cir-reports.cir-safety.org |
| F | 10-34 |
| Wassergefährdungsklasse (WGK) | 2 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 2735 8/PG 3 |
| Zollcode | 29211990 |
| RTECS-Nr. | MM0750000 |
| R-Sätze (R) | 34 |
| Gefahrensymbole | C |
| Sicherheitshinweise (S) | 26-36/37/39-45 |
| Gefahrenklasse | 8Acute Tox. 4 OralAquatic Acute 1Aquatic Chronic 1Eye Dam. 1Skin Corr. 1B |
| Verpackungsgruppe | III |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
Anwendungen & Verwendung
Verwenden
Barlene(R) tertiary amines are used as chemical intermediates for the manufacture of quaternary ammonium compounds, amine oxide and betaine surfactants