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N,N-Dimethylcyclohexanamin
DMCHA · Dimethylcyclohexylamine · PC8 · CYCLOHEXYLDIMETHYLAMINE · N,N-Dimethylcyclohexanamine · Polycat 8 · DIMETHYLAMINOCYCLOHEXANE · N,N-Dimethylaminocyclohexane
Identifikatoren & physikalische Daten
| CAS No. | 98-94-2 |
|---|---|
| Summenformel | C8H17N |
| Durchschnittliche Molmasse | 127,23 g/mol |
| Monoisotopische Masse | 127,13609954 g/mol |
| SMILES | CN(C)C1CCCCC1 |
| InChIKey | SVYKKECYCPFKGB-UHFFFAOYSA-N |
| PubChem CID | 7415 |
| ChEMBL | CHEMBL3186662 |
| ChEBI | CHEBI:59022 |
| EC No. | 202-715-5 |
| DTXSID | DTXSID9026633 |
| Lokaler Name | N,N-Dimethylcyclohexanamin |
Chemische & physikalische Eigenschaften
| XLogP | 1,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 3,2 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 72,6 |
| Stoffklassen | Nitrogen Compounds -> Amines, AliphaticCorrosives |
| SpringerMaterials Properties | 15N nuclear magnetic resonance spectrum |
| LogP (Verteilungskoeffizient) | 2.01 |
| Dichte | 0.849 at 68 °F (USCG, 1999) - Less dense than waterwill float0.8490 @ 20 °C/20 °CRelative density (water = 1): 0.850.8490 @ 20°C0.849 g/mL at 25 °C (lit.) |
| Color/Form | WATER-WHITE LIQ |
| Löslichkeit | PARTLY SOL IN WATERMISCIBLE WITH ALC, BENZENE, ACETONESolubility in water, g/100ml: 2010 g/L (20°C)10 g/L (20 ºC) |
| Flammpunkt | 108 °F (USCG, 1999)110 °F OC42.2 °C c.c. |
| Siedepunkt | 323.6 °F at 760 mmHg (USCG, 1999)162-165 °C158-159 °C (lit.) |
| Schmelzpunkt | FP: BELOW -77 °C-60 °C |
| Dampfdichte | Relative vapor density (air = 1): 4.4 |
| Dampfdruck | 3.0 [mmHg]Vapor pressure, kPa at 25 °C: 0.43.6 [mm Hg] @20 °C3.6 mm Hg ( 20 °C) |
| Food Contact Substances | FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR |
| Brechungsindex | n20/D 1.454(lit.) |
| Lagerbedingungen | Store below +30°C. |
| Aggregatzustand | Liquid |
| pKa (Säurekonstante) | pK1:10.72(+1) (25°C) |
| Farbe | Clear |
| pH | 12 (5g/l, H2O, 20℃) |
| Explosionsgrenze | 3.6-19%(V) |
| BRN | 1919922 |
| Henry-Konstante | 4.2×10-1 mol/(m3Pa) at 25℃, Altschuh et al. (1999) |
| Dielektrizitätskonstante | 2.8599999999999999 |
| InChI | 1S/C8H17N/c1-9(2)8-6-4-3-5-7-8/h8H,3-7H2,1-2H3 |
| InChIKey | SVYKKECYCPFKGB-UHFFFAOYSA-N |
| SMILES | CN(C)C1CCCCC1 |
| LogP (Verteilungskoeffizient) | 2.31 at 25℃ |
| CAS Datenbank | 98-94-2(CAS DataBase Reference) |
| NIST chemische Informationen | Cyclohexanamine, N,N-dimethyl-(98-94-2) |
| EPA chemische Informationen | N,N-Dimethylcyclohexylamine (98-94-2) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 14.6% (68 of 466) of reports.DangerH226 (85.2%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P260, P261, P262, P264, P264+P265, P270, P271, P273, P280, P284, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P320, P321, P330, P361+P364, P363, P370+P378, P391, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 466 reports by companies from 27 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Cyclohexanamine, N,N-dimethyl-Cyclohexanamine, N,N-dimethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Cyclohexanamine, 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: 28-02-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/13521Cyclohexyldimethylamine: Does not have an individual approval but may be used under an appropriate group standardThe New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.) |
| DOT-Kennzeichnung | Corrosive Flammable Liquid |
| Brandgefahren | Behavior in Fire: Dangerous when exposed to heat or flame. Can react vigorously with oxidizing materials. (USCG, 1999)· Flammable/combustible material.Flammable. Gives off irritating or toxic fumes (or gases) in a fire. Above 42.2 °C explosive vapour/air mixtures may be formed. |
| Gesundheitsgefahren | Inhalation of high concentration of vapor will will produce irritation of the respiratory tract and lungs. Inhalation of large quantities of vapor may be fatal. (USCG, 1999)· May cause toxic effects if inhaled or ingested. |
| Gefahrenübersicht | A corrosive substance that can cause injury to the skin, eyes, and respiratory tractInhalation may cause pulmonary edemaCan be absorbed through skin[ICSC] Irritating or corrosive to animal skinIrritating to rabbit eyesNot sensitizing to guinea pig skin using skin painting test[IUCLID] Causes muscle contraction or spasticity in lethal-dose studies of mice (inhalation and oral routes)[RTECS] Causes burnsToxic if inhaled[Alfa Aesar MSDS] |
| DOT-Nummer und Handbuch | 2264 132 |
| Reaktive Gruppe | Amines, Phosphines, and Pyridines |
| UN-Einstufung | UN Hazard Class: 8UN Subsidiary Risks: 3UN Pack Group: II |
| Reactivity Alerts | Highly Flammable |
| Reactivity Profile | DIMETHYLCYCLOHEXYLAMINE 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. |
| Chemical Dangers | Decomposes on burning. This produces toxic fumes including nitrogen oxides. The substance is a medium strong base. |
| Packaging and Labelling | Do not transport with food and feedstuffs. |
| Brandbekämpfung | Fire Extinguishing Agents: Carbon dioxide, dry chemical powder, polymer or alcohol foam. (USCG, 1999)Use water spray, powder, alcohol-resistant foam, carbon dioxide. In case of fire: keep drums, etc., cool by spraying with water. |
| Erste-Hilfe-Maßnahmen | Fresh air, rest. Half-upright position. Artificial respiration may be needed. Refer for medical attention.First rinse with plenty of water for at least 15 minutes, then remove contaminated clothes and rinse again. Refer for medical attention .First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.Rinse mouth. Give one or two glasses of water to drink. Do NOT induce vomiting. Refer for medical attention . |
| Freisetungsmaßnahmen | · CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area. |
| Erste Hilfe | Get medical attention.General First Aid: |
| Sichere Lagerung | Fireproof. Separated from strong acids and food and feedstuffs. |
| Expositionsschutz und Persönliche Schutzausrüstung | · Wear positive pressure self-contained breathing apparatus (SCBA). |
| Freisetung ohne Brand | Excerpt from ERG Guide 132 [Flammable Liquids - Corrosive]: |
| Verschüttetes entsorgen | Personal protection: filter respirator for organic gases and vapours adapted to the airborne concentration of the substance. Collect leaking and spilled liquid in sealable containers as far as possible. Carefully collect remainder. Then store and dispose of according to local regulations. Do NOT let this chemical enter the environment. |
| Isolation and Evacuation | Excerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:Immediate precautionary measure |
| Eye Prevention | Wear face shield or eye protection in combination with breathing protection. |
| Fire Prevention | NO open flames, NO sparks and NO smoking. Above 42.2 °C use a closed system, ventilation and explosion-proof electrical equipment. |
| Inhalation Risk | No indication can be given about the rate at which a harmful concentration of this substance in the air is reached on evaporation at 20 °C. |
| Unerwünschte Wirkungen | Dermatotoxin - Skin burns. |
| Expositionspfade | The substance can be absorbed into the body by inhalation, through the skin and by ingestion. |
| Signs and Symptoms | Sore throat. Burning sensation. Cough. Laboured breathing. Shortness of breath. Symptoms may be delayed.Redness. Pain. Skin burns.Redness. Pain. Severe deep burns.Burning sensation. Abdominal pain. Shock or collapse. |
| ICSC Environmental Data | The substance is harmful to aquatic organisms. |
| Toxicity Data | LC50 (rat) = 1,889 mg/m3/2h |
| EPA Provisional Peer-Reviewed Toxicity Values | n,n-DimethylcyclohexylaminePDF Document2011 |
| Wassergefährdungsklasse (WGK) | 1 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 2264 |
| Zollcode | 29213010 |
| RTECS-Nr. | GX1198000 |
| R-Sätze (R) | 10-20/21/22-34-50/53-23/24-22 |
| Toxizität | LD50 orally in Rabbit: 272 mg/kg LD50 dermal Rat > 400 mg/kg |
| Gefahrensymbole | C,N,T |
| Sicherheitshinweise (S) | 26-28-36/37/39-45-61-28A-16 |
| Gefahrenklasse | 8Acute Tox. 2 InhalationAcute Tox. 3 DermalAcute Tox. 4 OralAquatic Acute 1Flam. Liq. 3Skin Corr. 1B |
| Verpackungsgruppe | II |
| Lagerklasse | 3 - Flammable liquids |
| Gefahrstoffdaten | 98-94-2(Hazardous Substances Data) |
| Selbstentzündungstemperatur | 419 °F |
Anwendungen & Verwendung
Verwenden
Dimethylcyclohexylamine is used in polyurethane plastics and textiles and as a chemical intermediate.