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| CAS No.: | 96-80-0 |
|---|---|
| Name: | 2-Diisopropylaminoethanol |
| Article Data: | 7 |
| Molecular Structure: | |
|
|
|
| Formula: | C8H19 N O |
| Molecular Weight: | 145.245 |
| Synonyms: | Ethanol,2-(diisopropylamino)- (6CI,7CI,8CI); (Diisopropylamino)ethanol;(N,N-Diisopropylamino)ethanol; 2-(Diisopropylamino)ethanol;2-(Diisopropylamino)ethyl alcohol; 2-(N,N-Diisopropylamino)ethanol;Diisopropylethanolamine; N,N-Diisopropyl-2-aminoethanol;N,N-Diisopropylethanolamine; NSC 45475 |
| EINECS: | 202-536-2 |
| Density: | 0.826 |
| Melting Point: | -39.3ºC |
| Boiling Point: | 187-192 ºC |
| Flash Point: | 158 ºF |
| Appearance: | colourless to slightly yellow liquid |
| Hazard Symbols: |
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| Risk Codes: | R20/22;R24;R34 |
| Safety: | 26-36/37/39-45 |
| Transport Information: | UN 2825/2922 |
| PSA: | 23.47000 |
| LogP: | 1.09750 |
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| Conditions | Yield |
|---|---|
| at 200℃; | |
| at 200℃; |
| Conditions | Yield |
|---|---|
| at 120℃; | |
| In toluene for 3h; Reflux; |
- 75-21-8
oxirane
- 108-18-9
diisopropylamine
A
- 96-80-0
2-(diisopropylamino)ethanol
B
- 17844-23-4
4-methylene-hex-5-en-1-ol
| Conditions | Yield |
|---|---|
| With n-butyllithium; potassium tert-butylate; isoprene 1.) THF/hexane, -70 deg C, 1 min 2.) THF/hexane, -70 deg C to -20 deg C; Yield given. Multistep reaction. Yields of byproduct given; |
| Conditions | Yield |
|---|---|
| In dichloromethane at 20℃; for 2h; Inert atmosphere; | 100% |
- 96-80-0
2-(diisopropylamino)ethanol
| Conditions | Yield |
|---|---|
| With thionyl chloride at 0 - 80℃; for 10h; Large scale; | 93% |
- 96-80-0
2-(diisopropylamino)ethanol
- 108-18-9
diisopropylamine
- 74-86-2
acetylene
- 52183-40-1
bis(2-diisopropylaminoethyl) ether
| Conditions | Yield |
|---|---|
| With potassium hydroxide In 1,3-dioxane at 120℃; for 3h; | 85.6% |
- 96-80-0
2-(diisopropylamino)ethanol
- 144191-92-4
(11-hydroxyundecyl)carbamic acid tert-butyl ester
| Conditions | Yield |
|---|---|
| Stage #1: (11-hydroxyundecyl)carbamic acid tert-butyl ester With dmap; triethylamine; methylphosphonothioic dichloride In chloroform at 20℃; for 3h; Inert atmosphere; Stage #2: 2-(diisopropylamino)ethanol With triethylamine In chloroform at 20℃; for 16h; Inert atmosphere; | 82% |
- 96-80-0
2-(diisopropylamino)ethanol
- 96-79-7
(2-chloroethyl)-diisopropylamine
- 52183-40-1
bis(2-diisopropylaminoethyl) ether
| Conditions | Yield |
|---|---|
| With sodium hydroxide; adogen 464 In tetrahydrofuran for 6h; Heating; | 74% |
- 864757-74-4
4-(benzyloxy)-1-(4-hydroxyphenyl)pyridin-2(1H)-one
- 96-80-0
2-(diisopropylamino)ethanol
| Conditions | Yield |
|---|---|
| With triphenylphosphine; diethylazodicarboxylate In tetrahydrofuran at 20℃; for 4h; Mitsunobu reaction; | 73% |
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Chemistry
Molecular Formula: C8H19NO
Molar mass: 145.2426 g/mol
EINECS: 202-536-2
Density: 0.874 g/cm3
Flash Point: 60.1 °C
Index of Refraction: 1.445
Boiling Point: 189.5 °C at 760 mmHg
Vapour Pressure: 0.155 mmHg at 25°C
Water solubility: Slightly soluble in water
Appearance: Colourless to slightly yellow liquid
Stable: Stable. Incompatible with acids, strong oxidizing agents.
Structure of 2-Diisopropylaminoethanol (96-80-0):
XLogP3-AA: 1.2
H-Bond Donor: 1
H-Bond Acceptor: 2
IUPAC Name: 2-[Di(propan-2-yl)amino]ethanol
Canonical SMILES: CC(C)N(CCO)C(C)C
InChI: InChI=1S/C8H19NO/c1-7(2)9(5-6-10)8(3)4/h7-8,10H,5-6H2,1-4H3
InChIKey: ZYWUVGFIXPNBDL-UHFFFAOYSA-N
Uses
2-Diisopropylaminoethanol (96-80-0) can be used in organic synthesis and also be used for fiber additives, emulsifiers and catalysts. In addition, it is the intermediate of anti-cholinergic drugs Propantheline bromide .
Production
2-Diisopropylaminoethanol (96-80-0) can be obtained from the two derived from Isopropylamine and Ethylene oxide by addition.First, join Isopropylamine and water into reaction pot, and cooled to 0-5°C, then leads to Ethylene oxide. Naturally heated to 20-30 ℃, stirring the tank reactor 4h and then gradually warmed up to 40-50°C, and then continue to respond 4h. Place overnight. The next day, the reaction solution has fractionation at atmospheric pressure to sub-to low-boiling below 90°C (recovery of applied), and below 120°C following the boiling (recovered apply), and then has the vacuum distillation for collecting 90-100°C (2.67kPa) fraction.It shall be the product. Consumption of raw materials fixed: Diisopropylamine 888kg / t, Ethylene oxide 293kg / t.
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LC50 | inhalation | 1661mg/m3/6H (1661mg/m3) | Acute Toxicity Data. Journal of the American College of Toxicology, Part B. Vol. 1, Pg. 216, 1992. | |
| mouse | LD50 | oral | 770mg/kg (770mg/kg) | Acute Toxicity Data. Journal of the American College of Toxicology, Part B. Vol. 1, Pg. 216, 1992. | |
| rabbit | LD50 | skin | 450uL/kg (0.45mL/kg) | AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 10, Pg. 61, 1954. | |
| rat | LC50 | inhalation | 1965mg/m3/6H (1965mg/m3) | Acute Toxicity Data. Journal of the American College of Toxicology, Part B. Vol. 1, Pg. 216, 1992. | |
| rat | LD50 | oral | 860mg/kg (860mg/kg) | Acute Toxicity Data. Journal of the American College of Toxicology, Part B. Vol. 1, Pg. 216, 1992. |
Consensus Reports
Reported in EPA TSCA Inventory.
Safety Profile
Moderately toxic by ingestion and skin contact. A skin and severe eye irritant.
Hazard Codes: T.gif){kind=small}
Risk Statements:
20: Harmful by inhalation
22: Harmful if swallowed
24: Toxic in contact with skin
34: Causes burns
Safety Statements:
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36: Wear suitable protective clothing
37: Wear suitable gloves
39: Wear eye/face protection
45: In case of accident or if you feel unwell, seek medical advice immediately (show label where possible)
Specification
2-Diisopropylaminoethanol (96-80-0) also can be called (Diisopropylamino)ethanol ; Ethanol, 2-[bis(1-methylethyl)amino]- ; Ethanol, 2- (diisopropylamino)- ; N,N-diisopropyl ethanolamine ; Diisopropylethanolamine .