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N,N-Dimethylcyclohexanamin

N,N-Dimethylcyclohexylamine

HCID 7415
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Grundinformationen

CAS
98-94-2
Standard-SMILES
CN(C)C1CCCCC1
InChIKey
SVYKKECYCPFKGB-UHFFFAOYSA-N
Summenformel
C8H17N
Durchschnittliche Molmasse
127,23 g/mol
Monoisotopische Masse
127,13609954

Überblick

Dimethylcyclohexylamine is a colorless liquid with a musky ammonia odor. Less dense than water. (USCG, 1999)

Namen und Bezeichner

Bevorzugter Name
N,N-Dimethylcyclohexylamine
IUPAC
N,N-dimethylcyclohexanamine
Lokaler Name
N,N-Dimethylcyclohexanamin
Englischer Name
N,N-Dimethylcyclohexylamine
Summenformel
C8H17N
Molmasse
127.23

Namen und Synonyme

N,N-DIMETHYLCYCLOHEXYLAMINE98-94-2N,N-DimethylcyclohexanamineCyclohexyldimethylamineDimethylcyclohexylamineN-CyclohexyldimethylamineCyclohexanamine, N,N-dimethyl-(Dimethylamino)cyclohexaneCyclohexylamine, N,N-dimethyl-N,N-DimethylaminocyclohexaneN,N-Dimethyl-N-cyclohexylamineDTXSID9026633
Weitere Namen anzeigen
DMCHAPC8Polycat 8N,N-dimethyl-CyclohexanamineCyclohexanamine,N,N-dimethyl-
N1H19E7HTANSC-163904DTXCID906633CHEBI:59022RefChem:161290202-715-5DimethylaminocyclohexaneNSC 163904

Datenbank-Bezeichner

CAS
98-94-2
PubChem CID
7415
DTXSID
DTXSID9026633
ChEMBL
CHEMBL3186662
ChEBI
CHEBI:59022

Eigenschaften

Berechnete StruktureigenschaftenWird ergänzt

XLogP
1,9
Polarare Oberfläche (TPSA)
3,2 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
1
Frei drehbare Bindungen
1
Schwere Atome
9
Formalladung
0
Komplexität
72,6

Experimentelle und physikochemische Eigenschaften

Chemical Classes · 2 Einträge

Nitrogen Compounds -> Amines, Aliphatic

Corrosives

SpringerMaterials Properties15N nuclear magnetic resonance spectrum
LogP2.01
Density · 4 Einträge

0.849 at 68 °F (USCG, 1999) - Less dense than water; will float

0.8490 @ 20 °C/20 °C

Relative density (water = 1): 0.85

0.8490 @ 20°C

Color/FormWATER-WHITE LIQ
Solubility · 2 Einträge

PARTLY SOL IN WATER; MISCIBLE WITH ALC, BENZENE, ACETONE

Solubility in water, g/100ml: 20

Flash Point · 3 Einträge

108 °F (USCG, 1999)

110 °F OC

42.2 °C c.c.

Boiling Point · 2 Einträge

323.6 °F at 760 mmHg (USCG, 1999)

162-165 °C

Sicherheit und Regulatorisches

Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.

GHS-Klassifizierung

GHS Classification · 6 Einträge

This chemical does not meet GHS hazard criteria for 14.6% (68 of 466) of reports.

Danger

H226 (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.

Danger

Gefahrenhinweise

Regulatory Information · 5 Einträge

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/13521

Cyclohexyldimethylamine: Does not have an individual approval but may be used under an appropriate group standard

The 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 LabelCorrosive Flammable Liquid
Fire Hazards · 4 Einträge

Behavior in Fire: Dangerous when exposed to heat or flame. Can react vigorously with oxidizing materials. (USCG, 1999)

· Flammable/combustible material.

Chemie und Industrie

Verwendung und Herstellung

Uses · 6 Einträge

Used as a catalyst for polyurethane foams and an intermediate for rubber accelerators and dyes; Also used in the treatment of textiles; [HSDB]

Textiles (Fiber & Fabric Manufacturing) [Category: Industry]

CATALYST FOR POLYURETHANE FOAMS; INTERMEDIATE FOR RUBBER ACCELERATORS; TREATMENT OF TEXTILES

CHEMICAL INTERMEDIATE, EG, FOR RUBBER ACCELERATORS & DYES

CATALYST FOR POLYURETHANE FOAMS (POSSIBLE USE)

COMPONENT OF TEXTILE TREATMENTS (POSSIBLE USE)

U.S. Exports · 2 Einträge

(1979) No Data

(1981) No Data

U.S. Imports · 2 Einträge

(1979) 2.33X10+7 GRAMS (PRINCPL CUSTMS DISTS)

(1981) 2.49X10+8 GRAMS (PRINCPL CUSTMS DISTS)

U.S. Production · 3 Einträge

2023: 2,500,000 - <4,000,000 lb

(1979) PROBABLY GREATER THAN 2.27X10+6 GRAMS

(1981) PROBABLY GREATER THAN 2.27X10+6 GRAMS

Consumer UsesCatalyst
Industry UsesChemical reaction regulator
Methods of ManufacturingREACTION OF CYCLOHEXYLAMINE WITH FORMALDEHYDE & HYDROGEN; REACTION OF CYCLOHEXYLAMINE WITH METHYL CHLORIDE
General Manufacturing Information · 3 Einträge

Plastics Product Manufacturing

Cyclohexanamine, N,N-dimethyl-: ACTIVE

N,N-DIMETHYLCYCLOHEXYLAMINE WAS BUBBLED WITH 0.2-0.3 L/MIN N CONTAINING 2020 PPM HYDROGEN SULFIDE FOR 15 MIN; THE HYDROGEN SULFIDE REMOVAL WAS 100%.

Anwendungen

Dimethylcyclohexylamine is used in polyurethane plastics and textiles and as a chemical intermediate.

Zugehörige Reaktionen

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Reaktionsaufzeichnung erstellen
Reaktionsgleichung von HRID 19954
HRID 19954als Lösungsmitteluspto-grants-2010_06
Reaktionsgleichung von HRID 134394
HRID 134394als EduktTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaktionsgleichung von HRID 170960
HRID 170960als EduktTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaktionsgleichung von HRID 203867
HRID 203867als EduktTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaktionsgleichung von HRID 292007
HRID 292007als EduktTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaktionsgleichung von HRID 617670
HRID 617670als Eduktuspto-grants-1999_09
Reaktionsgleichung von HRID 672255
HRID 672255als EduktTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaktionsgleichung von HRID 692310
HRID 692310als EduktTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
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Weitere Aktionen
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UNII
N1H19E7HTA
EC Number
202-715-5
Nikkaji
J4.960C
Melting Point · 3 Einträge

FP: BELOW -77 °C

-60 °C

-77 °C

Vapor DensityRelative vapor density (air = 1): 4.4
Vapor Pressure · 3 Einträge

3.0 [mmHg]

Vapor pressure, kPa at 25 °C: 0.4

3.6 [mm Hg] @20 °C

Food Contact SubstancesFCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR

Physikochemische Eigenschaften

Schmelzpunkt
-60 °C · -60 °C
Siedepunkt
160 °C · 160 °C
Dichte
0.85 · 0.85
Dampfdruck
3.6 mm · 3.6 mm Hg ( 20 °C)
Brechungsindex
1.45 · 1.45
Flammpunkt
42 °C · 42 °C
storage temp.
30 °C · Store below +30°C.
Löslichkeit
10 g/L · 10 g/L (20°C)
pka
1 · pK1:10.72(+1) (25°C)
Aggregatzustand
clear liquid
Farbe
Colorless to Almost colorless
PH
12 · 12 (5g/l, H2O, 20℃)
Explosionsgrenze
3.6 · 3.6-19%(V)
Wasserlöslichkeit
10 g/L · 10 g/L (20 ºC)
BRN
1919922 · 1919922
Henry's Law Constant
4.2 · 4.2×10-1 mol/(m3Pa) at 25℃, Altschuh et al. (1999)
Dielectric constant
2.86 · 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
2.31 at · 2.31 at 25℃
CAS Datenbank
98 · 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)

· 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.

Health Hazards · 3 Einträge

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.

· May cause toxic effects if inhaled or ingested.

Hazards Summary · 1 Eintrag

A corrosive substance that can cause injury to the skin, eyes, and respiratory tract; Inhalation may cause pulmonary edema; Can be absorbed through skin; [ICSC] Irritating or corrosive to animal skin; Irritating to rabbit eyes; Not 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 burns; Toxic if inhaled; [Alfa Aesar MSDS]

DOT ID and Guide · 2 Einträge

2264 132

2264 132

Reactive GroupAmines, Phosphines, and Pyridines
UN ClassificationUN Hazard Class: 8; UN Subsidiary Risks: 3; UN Pack Group: II
Reactivity AlertsHighly Flammable
Reactivity Profile · 1 Eintrag

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 DangersDecomposes on burning. This produces toxic fumes including nitrogen oxides. The substance is a medium strong base.
Packaging and LabellingDo not transport with food and feedstuffs.

Sicherheit und Schutzausrüstung

Fire Fighting · 2 Einträge

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.

First Aid Measures · 4 Einträge

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 .

Accidental Release Measures · 4 Einträge

· 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.

· 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.

First Aid · 3 Einträge

Get medical attention.

General First Aid:

General First Aid:

Safe StorageFireproof. Separated from strong acids and food and feedstuffs.
Exposure Control and Personal Protection · 2 Einträge

· Wear positive pressure self-contained breathing apparatus (SCBA).

· Wear positive pressure self-contained breathing apparatus (SCBA).

Nonfire Spill ResponseExcerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:
Spillage Disposal · 1 Eintrag

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 · 3 Einträge

Excerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:

Immediate precautionary measure

Immediate precautionary measure

Eye PreventionWear face shield or eye protection in combination with breathing protection.
Fire PreventionNO open flames, NO sparks and NO smoking. Above 42.2 °C use a closed system, ventilation and explosion-proof electrical equipment.
Inhalation RiskNo 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.

Toxikologische Informationen

Adverse EffectsDermatotoxin - Skin burns.
Exposure RoutesThe substance can be absorbed into the body by inhalation, through the skin and by ingestion.
Signs and Symptoms · 4 Einträge

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 DataThe substance is harmful to aquatic organisms.
Toxicity DataLC50 (rat) = 1,889 mg/m3/2h
EPA Provisional Peer-Reviewed Toxicity Values · 3 Einträge

n,n-Dimethylcyclohexylamine

PDF Document

2011

Sicherheitsdaten

wgk
1
tsca
TSCA listed
ridadr
UN 2264
hs_code
2921300090
RTECS-Nr.
GX1198000
risk_code
10-20/21/22-34-50/53-23/24-22
Toxizität
LD50 orally in Rabbit: 272 mg/kg LD50 dermal Rat > 400 mg/kg
hazard_code
C,N,T
safety_code
26-28-36/37/39-45-61-28A-16
hazard_class
8
packing_group
II
Speicherklasse
3 - Flammable liquids
Giftige Stoffe Daten
98-94-2(Hazardous Substances Data)
Hazard Classifications
Acute Tox. 2 InhalationAcute Tox. 3 DermalAcute Tox. 4 OralAquatic Acute 1Flam. Liq. 3Skin Corr. 1B
Selbstentzündungstemperatur
419 °F
Verwenden

Vor- und nachgelagerte Produkte

Vorgelagerte Rohstoffe

CyclohexanonN-Methylmethanamin, gasförmig

Nachgelagerte Produkte

Cyclohexyl(methyl)aminN-nitroso-N-methylcyclohexylamine

Ergänzende Hinweise

DefinitionChEBI: A tertiary amine consisting of cyclohexane having a dimethylamino substituent.