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| CAS No.: | 100-37-8 |
|---|---|
| Name: | Diethylaminoethanol |
| Molecular Structure: | |
|
|
|
| Formula: | C6H15NO |
| Molecular Weight: | 117.191 |
| Synonyms: | 2-diethylaminoethanol;(2-Hydroxyethyl)diethylamine;(Diethylamino)ethanol;2-(Diethylamino)ethanol;2-(Diethylamino)ethyl alcohol;2-(N,N-Diethylamino)ethanol;2-Hydroxytriethylamine;A 22 (amine);DEAE;DEEA;Diethyl(b-hydroxyethyl)amine;Diethylethanolamine;MKS;N,N-Diethyl(2-hydroxyethyl)amine;N,N-Diethyl-2-aminoethanol;N,N-Diethylethanolamine;N,N-Diethylmonoethanolamine;N-(2-Hydroxyethyl)diethylamine;NSC 8759;Pennad 150;b-(Diethylamino)ethanol; |
| EINECS: | 202-845-2 |
| Density: | 0.884 g/cm3 |
| Melting Point: | -70 °C |
| Boiling Point: | 164.8 °C at 760 mmHg |
| Flash Point: | 48.9 °C |
| Solubility: | soluble in water |
| Appearance: | clear to pale yellow liquid |
| Hazard Symbols: |
 C
|
| Risk Codes: | 10-20/21/22-34 |
| Safety: | 25-26-36/37/39-45 |
| Transport Information: | UN 2686 8/PG 2 |
| PSA: | 23.47000 |
| LogP: | 0.32050 |
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| Conditions | Yield |
|---|---|
| With 3-amino-2-propanol at 70℃; under 4500.45 Torr; for 3h; Pressure; Temperature; | 99.4% |
| With water | |
| water at 85.84 - 94.84℃; under 1500.15 Torr; for 0.116667h; Heating / reflux; | |
| at 76.84 - 112.84℃; under 1500.15 Torr; for 0.133333h; Heating / reflux; |
| Conditions | Yield |
|---|---|
| In ethanol at 60℃; for 6h; Inert atmosphere; | 96% |
- 67-56-1
methanol
- 84115-05-9
2-(diethylamino)ethyl crotonate
A
- 623-43-8
crotonic acid methyl ester
B
- 100-37-8
2-(Diethylamino)ethanol
| Conditions | Yield |
|---|---|
| With toluene-4-sulfonic acid for 4h; Heating; | A 90% B 82% |
- 84115-05-9
2-(diethylamino)ethyl crotonate
A
- 623-43-8
crotonic acid methyl ester
B
- 100-37-8
2-(Diethylamino)ethanol
| Conditions | Yield |
|---|---|
| With methanol; toluene-4-sulfonic acid for 4h; Heating; | A 90% B 82% |
- 1120-64-5
2-methyl-4,5-dihydro-1,3-oxazole
A
- 110-73-6
2-(Ethylamino)ethanol
B
- 100-37-8
2-(Diethylamino)ethanol
| Conditions | Yield |
|---|---|
| With platinum on carbon; hydrogen at 25℃; under 7500.75 Torr; for 16h; | A 60% B 19% |
| Conditions | Yield |
|---|---|
| Stage #1: 2-amino-ethanol hydrochloride With potassium carbonate; ethanolamine In acetonitrile Heating; Stage #2: ethyl iodide for 6h; Heating; | 7.8% |
- 20570-43-8
carbonic acid ethyl ester-(2-diethylamino-ethyl ester)
A
- 100-37-8
2-(Diethylamino)ethanol
B
- 105-58-8
Diethyl carbonate
| Conditions | Yield |
|---|---|
| With sodium hydroxide at 40℃; |
| Conditions | Yield |
|---|---|
| at 300℃; |
- 127-17-3Pyruvic acid
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- 104987-11-3Tacrolimus
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- 8001-54-5Quaternary ammonium compounds, alkylbenzyldimethyl, chlorides
- 9003-39-8Povidone
- 10161-34-9Trenbolone acetate
- 402957-28-2Telaprevir
- 68-19-9Cyanocobalamin
- Total:22 Page 1 of 1 1
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Consensus Reports
Standards and Recommendations
ACGIH TLV: TWA 10 ppm (skin)
DFG MAK: 5 ppm (24 mg/m3)
DOT Classification: 3; Label: Flammable Liquid
Analytical Methods
Specification
The CAS registry number of 2-Diethylaminoethanol is 100-37-8. Its EINECS registry number is 202-845-2. In addition, the molecular formula is C6H15NO. The systematic name is 2-(diethylamino)ethanol. What's more, it is used as pharmaceutical intermediates, softeners, emulsifiers and curing agents.
Physical properties about this chemical are: (1)ACD/LogP: 0.74; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 2; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 5; (9)Polar Surface Area: 23.47 Å2; (10)Index of Refraction: 1.443; (11)Molar Refractivity: 35.1 cm3; (12)Molar Volume: 132.3 cm3; (13)Polarizability: 13.91 ×10-24cm3; (14)Surface Tension: 31.4 dyne/cm; (15)Density: 0.885 g/cm3; (16)Flash Point: 48.9 °C; (17)Enthalpy of Vaporization: 46.73 kJ/mol; (18)Boiling Point: 164.8 °C at 760 mmHg; (19)Vapour Pressure: 0.651 mmHg at 25°C.
Preparation of 2-Diethylaminoethanol: it can be prepared by diethylamine and epoxyethane at the certain temperature. The equation is as follows:
Uses of 2-Diethylaminoethanol: it can react with isocyanatomethyl-benzene to get N-Benzyl-carbaminsaeure-(2-diethylamino-ethylester). This reaction will need reagent triethylamine and solvent diethyl ether. The yield is about 74% at reaction temperature of 20-30 °C.
When you are using this chemical, please be cautious about it as the following:
This chemical is flammable and can cause burns. And it is harmful by inhalation, in contact with skin and if swallowed. During using it, wear suitable protective clothing, gloves and eye/face protection and avoid contact with eyes. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. And in case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.).
You can still convert the following datas into molecular structure:
(1)SMILES: CCN(CC)CCO
(2)Std.InChI: InChI=1S/C6H15NO/c1-3-7(4-2)5-6-8/h8H,3-6H2,1-2H3
(3)Std.InChIKey: BFSVOASYOCHEOV-UHFFFAOYSA-N
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| guinea pig | LD50 | skin | 1mL/kg (1mL/kg) | Journal of Industrial Hygiene and Toxicology. Vol. 26, Pg. 269, 1944. | |
| human | TCLo | inhalation | 200ppm (200ppm) | GASTROINTESTINAL: NAUSEA OR VOMITING | "Toxicology of Drugs and Chemicals," Deichmann, W.B., New York, Academic Press, Inc., 1969Vol. -, Pg. 216, 1969. |
| mammal (species unspecified) | LDLo | unreported | 1300mg/kg (1300mg/kg) | "Toxicology of Drugs and Chemicals," Deichmann, W.B., New York, Academic Press, Inc., 1969Vol. -, Pg. 216, 1969. | |
| mouse | LC50 | inhalation | 5000mg/m3 (5000mg/m3) | BRAIN AND COVERINGS: RECORDINGS FROM SPECIFIC AREAS OF CNS SENSE ORGANS AND SPECIAL SENSES: CONJUNCTIVE IRRITATION: EYE BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD | Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 14(11), Pg. 52, 1970. |
| mouse | LD50 | intramuscular | 416mg/kg (416mg/kg) | Arzneimittel-Forschung. Drug Research. Vol. 9, Pg. 31, 1959. | |
| mouse | LD50 | intraperitoneal | 192mg/kg (192mg/kg) | BEHAVIORAL: ATAXIA | Journal of Pharmacology and Experimental Therapeutics. Vol. 94, Pg. 249, 1948. |
| mouse | LD50 | intravenous | 188mg/kg (188mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES | Arzneimittel-Forschung. Drug Research. Vol. 9, Pg. 31, 1959. |
| mouse | LD50 | subcutaneous | 650mg/kg (650mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: ATAXIA LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES | Arzneimittel-Forschung. Drug Research. Vol. 9, Pg. 31, 1959. |
| rabbit | LD50 | skin | 1260uL/kg (1.26mL/kg) | Union Carbide Data Sheet. Vol. 6/11/1963, | |
| rat | LCLo | inhalation | 4500mg/m3/4H (4500mg/m3) | BRAIN AND COVERINGS: RECORDINGS FROM SPECIFIC AREAS OF CNS SENSE ORGANS AND SPECIAL SENSES: CONJUNCTIVE IRRITATION: EYE BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD | Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 14(11), Pg. 52, 1970. |
| rat | LD50 | intraperitoneal | 1220mg/kg (1220mg/kg) | Toxicology and Applied Pharmacology. Vol. 12, Pg. 486, 1968. | |
| rat | LD50 | oral | 1300mg/kg (1300mg/kg) | Journal of Industrial Hygiene and Toxicology. Vol. 26, Pg. 269, 1944. |