ChemicalBook--->CAS DataBase List--->98-94-2

98-94-2

98-94-2 Structure

98-94-2 Structure
IdentificationMore
[Name]

N,N-Dimethylcyclohexylamine
[CAS]

98-94-2
[Synonyms]

CYCLOHEXYLDIMETHYLAMINE
DIMETHYLAMINOCYCLOHEXANE
DMCHA
LUPRAGEN(R) N 100
N-CYCLOHEXYLDIMETHYLAMINE
N,N-DIMETHYLCYCLOHEXYLAMINE
Cyclohexanamine,N,N-dimethyl-
Cyclohexylamine, N,N-dimethyl-
Cyclohexylamine,N,N-dimethyl-
Dimethylcyclohexylamine
KL3
KL3(amine)
N,N-Dimethylaminocyclohexane
n,n-dimethyl-cyclohexanamin
N,N-Dimethylcyclohexanamine
N,N-dimethyl-Cyclohexanamine
n,n-dimethyl-cyclohexylamin
N,N-Dimethylcylohexylamine
N,N-Dimethyl-N-cyclohexylamine
N-Cyclohexyldimethylamin
[EINECS(EC#)]

202-715-5
[Molecular Formula]

C8H17N
[MDL Number]

MFCD00003844
[Molecular Weight]

127.23
[MOL File]

98-94-2.mol
Chemical PropertiesBack Directory
[Appearance]

CLEAR LIQUID
[Melting point ]

-60 °C
[Boiling point ]

158-159 °C (lit.)
[density ]

0.849 g/mL at 25 °C(lit.)
[vapor pressure ]

3.6 mm Hg ( 20 °C)
[refractive index ]

n20/D 1.454(lit.)
[Fp ]

108 °F
[storage temp. ]

Flammables area
[solubility ]

10 g/L (20°C)
[form ]

Liquid
[pka]

pK1:10.72(+1) (25°C)
[color ]

Clear
[PH]

12 (5g/l, H2O, 20℃)
[explosive limit]

3.6-19%(V)
[Water Solubility ]

10 g/L (20 ºC)
[FreezingPoint ]

<-77℃
[Sensitive ]

Air Sensitive
[BRN ]

1919922
[Henry's Law Constant]

4.2×10-1 mol/(m3Pa) at 25℃, Altschuh et al. (1999)
[Dielectric constant]

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 25℃
[CAS DataBase Reference]

98-94-2(CAS DataBase Reference)
[NIST Chemistry Reference]

Cyclohexanamine, N,N-dimethyl-(98-94-2)
[EPA Substance Registry System]

98-94-2(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Flame (GHS02)Corrosion (GHS05)Skull and Crossbones (GHS06)Environment (GHS09)
GHS02,GHS05,GHS06,GHS09
[Signal word ]

Danger
[Hazard statements ]

H226-H302-H311-H314-H330-H400
[Precautionary statements ]

P210-P273-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338
[Hazard Codes ]

C,N,T
[Risk Statements ]

R10:Flammable.
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R34:Causes burns.
R50/53:Very Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment .
R23/24:Toxic by inhalation and in contact with skin .
R22:Harmful if swallowed.
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S28:After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer) .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S61:Avoid release to the environment. Refer to special instructions safety data sheet .
S16:Keep away from sources of ignition-No smoking .
[RIDADR ]

UN 2264 8/PG 2
[WGK Germany ]

1
[RTECS ]

GX1198000
[Autoignition Temperature]

419 °F
[TSCA ]

Yes
[REACH Registrations]

Active
[HazardClass ]

8
[PackingGroup ]

II
[HS Code ]

29213010
[Storage Class]

3 - Flammable liquids
[Hazard Classifications]

Acute Tox. 2 Inhalation
Acute Tox. 3 Dermal
Acute Tox. 4 Oral
Aquatic Acute 1
Flam. Liq. 3
Skin Corr. 1B
[Safety Profile]

Poison by ingestion. Moderately toxic by inhalation. Whenheated to decomposition it emits toxic fumes of NOx
[Hazardous Substances Data]

98-94-2(Hazardous Substances Data)
[Toxicity]

LD50 orally in Rabbit: 272 mg/kg LD50 dermal Rat > 400 mg/kg
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Dimethylamine-->Cyclohexanone
[Preparation Products]

N-Methylcyclohexylamine-->N-nitroso-N-methylcyclohexylamine
Hazard InformationBack Directory
[General Description]

Colorless liquid with a musky ammonia odor. Less dense than water.
[Reactivity Profile]

DIMETHYLCYCLOHEXYLAMINE(98-94-2) 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 & Water Reactions]

Highly flammable. Water soluble.
[Health Hazard]

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.
[Fire Hazard]

Behavior in Fire: Dangerous when exposed to heat or flame. Can react vigorously with oxidizing materials.
[Chemical Properties]

CLEAR LIQUID
[Uses]

N,N-Dimethylcyclohexylamine has been used:
  • as switchable hydrophilicity solvent (SHS) for the extraction of lipids from freeze-dried samples of Botryococcus braunii microalgae for biofuel production
  • as catalyst in three-component organocatalyzed Strecker reaction on water
[Uses]

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

The curing temperature of baking finishes comprising polyurethane-forming substances can be reduced by 50 – 80 ℃ by adding weakly acidic derivatives of N,N-Dimethylcyclohexylamine. Like pyridine, dimethylcyclohexylamine catalyzes certain reactions and is slightly more efficient than pyridine in the preparation of acid chlorides with thionyl chloride. It can be used as corrosion inhibitor and as an antioxidant in fuel oils.
[Definition]

ChEBI: A tertiary amine consisting of cyclohexane having a dimethylamino substituent.
[Production Methods]

N,N-Dimethylcyclohexylamine is manufactured either by the reaction of methyl chloride or formaldehyde and hydrogen with cyclohexylamine (HSDB 1989).
[Synthesis Reference(s)]

Journal of the American Chemical Society, 93, p. 2897, 1971 DOI: 10.1021/ja00741a013
Organic Syntheses, Coll. Vol. 6, p. 499, 1988
[Industrial uses]

This amine is used as a catalyst in the production of polyurethane foams. It is also used as an intermediate for rubber accelerators and dyes and in the treatment of textiles.
[Metabolism]

There is no record of any metabolic studies with MTV-dime thy ley clohexylamine. However, one can predict that it would be oxidized to the N-oxide by either a cytochrome P-450 system (Damani 1982) or the flavin-containing monooxygenase (Ziegler 1988). Mixed function oxidase enzymes would be expected to produce demethylation (Lindeke and Cho 1982). Many studies describe the metabolism of the parent compound cyclohexylamine (Henderson 1990).
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

Cyclohexyldimethylamine(98-94-2).msds
Spectrum DetailBack Directory
[Spectrum Detail]

N,N-Dimethylcyclohexylamine(98-94-2)MS
N,N-Dimethylcyclohexylamine(98-94-2)1HNMR
N,N-Dimethylcyclohexylamine(98-94-2)13CNMR
N,N-Dimethylcyclohexylamine(98-94-2)IR1
N,N-Dimethylcyclohexylamine(98-94-2)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

N,N-Dimethylcyclohexylamine, 99%(98-94-2)
[Alfa Aesar]

N,N-Dimethylcyclohexylamine, 98+%(98-94-2)
[Sigma Aldrich]

98-94-2(sigmaaldrich)
[TCI AMERICA]

N,N-Dimethylcyclohexylamine,>98.0%(GC)(98-94-2)
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