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Diisopropylamine

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Name

Diisopropylamine

EINECS 203-558-5
CAS No. 108-18-9 Density 0.737 g/cm3
Solubility 100 g/L (20 °C) in water Melting Point -61 °C
Formula C6H15N Boiling Point 83.9 °C at 760 mmHg
Molecular Weight 101.19 Flash Point -7 °C
Transport Information UN 1158 3/PG 2 Appearance clear colorless liquid with an ammonia-like odor
Safety 16-26-36/37/39-45 Risk Codes 11-20/22-34
Molecular Structure Molecular Structure of 108-18-9 (Diisopropylamine) Hazard Symbols FlammableF,CorrosiveC
Synonyms

2-Propanamine, N- (1-methylethyl)-;N,N-Diisopropylamine;N-propan-2-ylpropan-2-amine;Diisopropyl amine;N-Isopropyl-1-amino-2-methylethane;2-Propanamine,N-(1-methylethyl)-;Alkylamine der.;

 

Consensus Reports

Reported in EPA TSCA Inventory.

Standards and Recommendations

OSHA PEL: TWA 5 ppm (skin)
ACGIH TLV: TWA 5 ppm (skin)
DOT Classification:  3; Label: Flammable Liquid

Specification

The IUPAC name of Diisopropylamine is N-propan-2-ylpropan-2-amine. With the CAS registry number 108-18-9, it is also named as 2-Propaneamine, N-(1-methylethyl)-. The product's categories are Pharmaceutical Intermediates; Heterocyclic Compounds. Besides, it is a clear colorless liquid with an ammonia-like odor, which should be sealed in a cool, ventilated warehouse. And it can react violently with oxidizing agents and strong acids. It may be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. In addition, its molecular formula is C6H15N and molecular weight is 101.19.

The other characteristics of this product can be summarized as: (1)EINECS: 203-558-5; (2)ACD/LogP: 1.33; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): -1.77; (5)ACD/LogD (pH 7.4): -1.58; (6)ACD/BCF (pH 5.5): 1; (7)ACD/BCF (pH 7.4): 1; (8)ACD/KOC (pH 5.5): 1; (9)ACD/KOC (pH 7.4): 1; (10)#H bond acceptors: 1; (11)#H bond donors: 1; (12)#Freely Rotating Bonds: 2; (13)Index of Refraction: 1.401; (14)Molar Refractivity: 33.35 cm3; (15)Molar Volume: 137.1 cm3; (16)Surface Tension: 21 dyne/cm; (17)Density: 0.737 g/cm3; (18)Flash Point: -7 °C; (19)Melting point: -61 °C; (20)Water solubility: 100 g/L (20 °C); (21)Enthalpy of Vaporization: 30.4 kJ/mol; (22)Boiling Point: 83.9 °C at 760 mmHg; (23)Vapour Pressure: 74 mmHg at 25 °C.

Preparation of Diisopropylamine: this chemical can be prepared by hydrogenation and ammoniation of Acetone. The reaction is catalyzed by Ni, Cu and carclazyte.


Uses of Diisopropylamine: this chemical is an intermediate used for the production of pesticides, pharmaceuticals, dyes, mineral flotation agent, emulsifier and fine chemicals.  It can also be used in organic synthesis. Furthermore, it is used as solvent.

When you are using this chemical, please be cautious about it as the following: it is highly flammable that may cause burns. Please keep away from sources of ignition. Moreover, it is harmful by inhalation and if swallowed. In case of contact with eyes, please rinse immediately with plenty of water and seek medical advice. And you should wear suitable protective clothing, gloves and eye/face protection. Additionally, in case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

People can use the following data to convert to the molecule structure.
(1)Canonical SMILES: CC(C)NC(C)C
(2)InChI: InChI=1S/C6H15N/c1-5(2)7-6(3)4/h5-7H,1-4H3
(3)InChIKey: UAOMVDZJSHZZME-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LCLo inhalation 2207ppm/72M (2207ppm) BEHAVIORAL: COMA

LUNGS, THORAX, OR RESPIRATION: COUGH

GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS
Journal of Industrial Hygiene and Toxicology. Vol. 31, Pg. 142, 1949.
guinea pig LCLo inhalation 2207ppm/82M (2207ppm) BEHAVIORAL: COMA

GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS

LUNGS, THORAX, OR RESPIRATION: COUGH
Journal of Industrial Hygiene and Toxicology. Vol. 31, Pg. 142, 1949.
guinea pig LD50 oral 2800mg/kg (2800mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 45(3), Pg. 79, 1980.
guinea pig LDLo subcutaneous 1400mg/kg (1400mg/kg)   Journal of Industrial Hygiene and Toxicology. Vol. 31, Pg. 142, 1949.
mammal (species unspecified) LC50 inhalation 4200mg/m3 (4200mg/m3)   Toksikologiya Novykh Promyshlennykh Khimicheskikh Veshchestv. Toxicology of New Industrial Chemical Substances. For English translation, see TNICS*. Vol. 14, Pg. 80, 1975.
mammal (species unspecified) LD50 unreported 600mg/kg (600mg/kg)   Toksikologiya Novykh Promyshlennykh Khimicheskikh Veshchestv. Toxicology of New Industrial Chemical Substances. For English translation, see TNICS*. Vol. 14, Pg. 80, 1975.
mouse LC50 inhalation 4200mg/m3/2H (4200mg/m3)   "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 54, 1982.
mouse LD50 oral 2120mg/kg (2120mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 45(3), Pg. 79, 1980.
rabbit LCLo inhalation 2207ppm/2.5H (2207ppm) BEHAVIORAL: COMA

GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS

LUNGS, THORAX, OR RESPIRATION: COUGH
Journal of Industrial Hygiene and Toxicology. Vol. 31, Pg. 142, 1949.
rabbit LD50 oral 4700mg/kg (4700mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 45(3), Pg. 79, 1980.
rabbit LD50 skin > 10gm/kg (10000mg/kg)   Union Carbide Data Sheet. Vol. 12, Pg. 15, 1971.
rat LC50 inhalation 4800mg/m3/2H (4800mg/m3)   "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 54, 1982.
rat LD50 oral 770mg/kg (770mg/kg)   Union Carbide Data Sheet. Vol. 12/15/1971,

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