ChemicalBook CAS DataBase List 98-94-2

98-94-2

Name	N,N-Dimethylcyclohexylamine
CAS	98-94-2
EINECS(EC#)	202-715-5
Molecular Formula	C8H17N
MDL Number	MFCD00003844
Molecular Weight	127.23
MOL File	98-94-2.mol

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

Chemical Properties

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 Data

Symbol(GHS)	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. less more
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 . less more
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 less more
Hazardous Substances Data	98-94-2(Hazardous Substances Data)
Toxicity	LD50 orally in Rabbit: 272 mg/kg LD50 dermal Rat > 400 mg/kg less more

Raw materials And Preparation Products

Hazard Information

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)

Spectrum Detail

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