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| CAS No.: | 108-18-9 |
|---|---|
| Name: | Diisopropylamine |
| Molecular Structure: | |
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|
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| Formula: | C6H15N |
| Molecular Weight: | 101.192 |
| 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.; |
| EINECS: | 203-558-5 |
| Density: | 0.737 g/cm3 |
| Melting Point: | -61 °C |
| Boiling Point: | 83.9 °C at 760 mmHg |
| Flash Point: | -7 °C |
| Solubility: | 100 g/L (20 °C) in water |
| Appearance: | clear colorless liquid with an ammonia-like odor |
| Hazard Symbols: |
 F, C
|
| Risk Codes: | 11-20/22-34 |
| Safety: | 16-26-36/37/39-45 |
| Transport Information: | UN 1158 3/PG 2 |
| PSA: | 12.03000 |
| LogP: | 1.78370 |
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Consensus Reports
Standards and Recommendations
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.
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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, |