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| CAS No.: | 111-42-2 |
|---|---|
| Name: | Diethanolamine |
| Molecular Structure: | |
|
|
|
| Formula: | C4H11NO2 |
| Molecular Weight: | 105.137 |
| Synonyms: | 2,2-Iminodi-1-ethanol;2,2-Dihydroxydiethylamine;bis(2-hydroxyethyl)azanium;N,N-Diethanolamine;Diethanolamine (NF);Iminodiethanol;Bis(2-hydroxyethyl)amine;Diethylolamine;2-(2-hydroxyethylamino)ethanol;Di(2-hydroxyethyl)amine;Purified Isophthalic Acid;Diethanolamin 98%;Diethanolamin min. 85%;2,2'-iminodiethanol;Ethanol, 2,2-iminodi-;Diethanolamine (DEA);Diethylamine, 2,2-dihydroxy-;DEA;2, 2-Iminobis[ethanol];Ethanol, 2,2-iminobis-;2,2-Iminodiethanol;2-[(2-Hydroxyethyl)amino]ethanol;Ethanol,2,2'-iminobis-; |
| EINECS: | 203-868-0 |
| Density: | 1.096 g/cm3 |
| Melting Point: | 28 °C(lit.) |
| Boiling Point: | 268.389 °C at 760 mmHg |
| Flash Point: | 137.778 °C |
| Solubility: | miscible with water |
| Appearance: | solid or viscous liquid |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 22-38-41-48/22 |
| Safety: | 26-36/37/39-46 |
| Transport Information: | UN 1760 |
| PSA: | 52.49000 |
| LogP: | -1.04850 |
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- 361456-36-2METHYL (R)-(+)-ISOCYANATO-3-PHENYLPROPI&
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- 82993-81-5D-threo-Ritalinic acid hydrochloride
- 47087-37-6Z-D-Glu-OMe
- 1219080-61-1IMIDAZOLE-2-BORONIC ACID
| Conditions | Yield |
|---|---|
| With ammonia; ZSM-5 type zeolite ion exchange with lanthanum at 45℃; under 75007.5 Torr; Industry scale; Adiabatic conditions; | A 91.1% B 7.6% |
| With ammonia In water Continous process; | A 85.3% B 9.3% |
| With ammonia; ZSM-5 type zeolite ion exchange with lanthanum at 45℃; under 75007.5 Torr; Adiabatic conditions; Industry scale; | A 76.6% B 9.9% |
| In water Industry scale; | |
| With ammonia; La/zeolites(ZSM-5) at 45℃; under 75007.5 Torr; |
| Conditions | Yield |
|---|---|
| With potassium hydroxide Reflux; | A n/a B 81% C n/a |
- 91322-91-7
2,2-hexamethylene-3-(2-hydroxyethyl)oxazolidine
A
- 502-41-0
cycloheptanol
B
- 91322-87-1
1-(2-hydroxyethyl)-5,6,7,8-tetrahydrocyclohepta(b)pyrrole
C
- 111-42-2
2,2'-iminobis[ethanol]
| Conditions | Yield |
|---|---|
| With potassium hydroxide Reflux; | A n/a B 76% C n/a |
- 2359-11-7
2-Spirocyclohexyl-3-(β-hydroxyethyl)oxazolidine
A
- 51265-34-0
1-(2-hydroxyethyl)-4,5,6,7-tetrahydro-1H-indole
B
- 111-42-2
2,2'-iminobis[ethanol]
C
- 108-93-0
cyclohexanol
| Conditions | Yield |
|---|---|
| With potassium hydroxide for 4h; Product distribution; Heating; alcoholates(C1-C4) of K, Na, Li, Ba, Ba, Al as reagents; | A 73% B n/a C n/a |
| With potassium hydroxide for 4h; Heating; CH3ONa as reagent; | A 73% B n/a C n/a |
- 91322-93-9
2,2-dipropyl-3-(2-hydroxyethyl)oxazolidine
A
- 589-55-9
heptan-4-ol
B
- 91322-89-3
1-(2-hydroxyethyl)-2-propyl-3-ethylpyrrole
C
- 111-42-2
2,2'-iminobis[ethanol]
| Conditions | Yield |
|---|---|
| With potassium hydroxide Reflux; | A n/a B 64% C n/a |
- 106345-17-9
2-(6-Methyl-1-oxa-4-aza-spiro[4.5]dec-4-yl)-ethanol
A
- 583-59-5
2-Methylcyclohexanol
B
- 106345-21-5
2-(7-Methyl-4,5,6,7-tetrahydro-indol-1-yl)-ethanol
C
- 111-42-2
2,2'-iminobis[ethanol]
| Conditions | Yield |
|---|---|
| With potassium hydroxide Heating; CH3ONa as reagent; | A n/a B 59% C n/a |
- 1586805-13-1
C13H27NO2
A
- 623-93-8
5-nonanol
B
- 1586805-19-7
2-butyl-1-(2-hydroxyethyl)-3-propylpyrrole
C
- 111-42-2
2,2'-iminobis[ethanol]
| Conditions | Yield |
|---|---|
| With potassium hydroxide Reflux; | A n/a B 53% C n/a |
- 69470-38-8
C14H29NO2
A
- 112-30-1
1-Decanol
B
- 1586805-20-0
1-(2-hydroxyethyl)-3-octylpyrrole
C
- 111-42-2
2,2'-iminobis[ethanol]
| Conditions | Yield |
|---|---|
| With potassium hydroxide Reflux; | A n/a B 53% C n/a |
- 75-21-8
oxirane
- 7664-41-7
ammonia
A
- 102-71-6
triethanolamine
B
- 141-43-5
ethanolamine
C
- 111-42-2
2,2'-iminobis[ethanol]
| Conditions | Yield |
|---|---|
| water at 48.84 - 76.84℃; under 12751.3 Torr; for 0.25h; | A 7.7% B 52.1% C 40.2% |
- 107-21-1
ethylene glycol
A
- 110-85-0
piperazine
B
- 141-43-5
ethanolamine
C
- 111-41-1
2-(2-Aminoethylamino)ethanol
D
- 107-15-3
ethylenediamine
E
- 111-40-0
1,5-diamino-3-azapentane
F
- 111-42-2
2,2'-iminobis[ethanol]
| Conditions | Yield |
|---|---|
| Stage #1: ethylene glycol With ammonia; hydrogen at 150℃; under 150015 Torr; Stage #2: copper oxide; graphite; molybdenum oxide; nickel oxide; zirconium dioxide; mixture of at 170℃; under 150015 Torr; | A 6.8% B 29% C 5.7% D 49.5% E 3.9% F 1.7% |
| With ammonia; hydrogen at 170 - 180℃; under 150015 Torr; Conversion of starting material; | |
| With ammonia; water; hydrogen at 180℃; under 150015 Torr; Conversion of starting material; | |
| With ammonia; hydrogen at 150 - 170℃; under 150015 Torr; Conversion of starting material; | |
| With ammonia; hydrogen at 200℃; under 150015 Torr; Conversion of starting material; |
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- 106-99-01,3-Butadiene
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- 30525-89-4Paraformaldehyde
- 112-27-6Ethanol,2,2'-[1,2-ethanediylbis(oxy)]bis-
- 18472-51-0Chlorhexidine digluconate
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- Total:33 Page 1 of 1 1
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Chemistry
Molecular Structure of Diethanolamine (CAS No.111-42-2):
Molecular Formula: C4H11NO2
Molecular Weight: 105.14
IUPAC Name: 2-(2-Hydroxyethylamino)ethanol
CAS No: 111-42-2
EINECS: 203-868-0
H bond acceptors: 3
H bond donors: 3
Freely Rotating Bonds: 6
Polar Surface Area: 52.49 Å2
Index of Refraction: 1.465
Molar Refractivity: 27.24 cm3
Molar Volume: 98.3 cm3
Surface Tension: 43.5 dyne/cm
Density: 1.068 g/cm3
Flash Point: 137.8 °C
Melting Point: 28 °C(lit.)
Enthalpy of Vaporization: 58.81 kJ/mol
Boiling Point: 268.4 °C at 760 mmHg
Vapour Pressure: 0.00104 mmHg at 25°C
Melting Point: 27-30 ºC
Refractive Index: 1.475-1.479
Water Solubility: Miscible
Sensitive: Hygroscopic
Classification Code: Drug / Therapeutic Agent;Pharmaceutic aid [alkalizing agent];Reproductive Effect;Skin / Eye Irritant;TSCA Flag T [Subject to the Section 4 test rule under TSCA];Tumor data
Product Categories: Pharmaceutical Intermediates;Thanolamine Series;Analytical Chemistry;Mass Spectrometry;Matrix Materials (FABMS liquid SIMS)
Uses
As surfactant and corrosion inhibitor, Diethanolamine (CAS No.111-42-2) is used to remove hydrogen sulfide and carbon dioxide from natural gas.
Production
The reaction of Ethylene oxide with aqueous ammonia first produces Ethanolamine:
C2H4O + NH3 → H2NCH2CH2OH
which reacts with a second and third equivalent of Ethylene oxide to give Diethanolamine and Triethanolamine:
C2H4O + H2NCH2CH2OH → HN(CH2CH2OH)2
C2H4O + HN(CH2CH2OH)2 → N(CH2CH2OH)3
About 300M kg are produced annually in this way. The ratio of the products can be controlled by changing the stoichiometry of the reactants.
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| guinea pig | LD50 | oral | 2gm/kg (2000mg/kg) | "Documentation of the Threshold Limit Values and Biological Exposure Indices," 5th ed., Cincinnati, OH, American Conference of Governmental Industrial Hygienists, Inc., 1986Vol. 5, Pg. 197, 1986. | |
| guinea pig | LD50 | skin | 11900uL/kg (11.9mL/kg) | National Technical Information Service. Vol. OTS0516742, | |
| mammal (species unspecified) | LDLo | oral | 3gm/kg (3000mg/kg) | National Technical Information Service. Vol. OTS0520710, | |
| mouse | LD50 | intraperitoneal | 210mg/kg (210mg/kg) | National Technical Information Service. Vol. OTS0516742, | |
| mouse | LD50 | oral | 3300mg/kg (3300mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: EXCITEMENT BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY) | Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 29(11), Pg. 25, 1964. |
| rabbit | LD50 | oral | 2200mg/kg (2200mg/kg) | Environmental Space Science. English Translation of Kosmicheskaya Biologiya Meditsina. 1967-70.Vol. 2, Pg. 289, 1968. | |
| rabbit | LD50 | skin | 7640uL/kg (7.64mL/kg) | BEHAVIORAL: ATAXIA SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE" MUSCULOSKELETAL: OTHER CHANGES | National Technical Information Service. Vol. OTS0516797, |
| rat | LD50 | intramuscular | 1500mg/kg (1500mg/kg) | Environmental Space Science. English Translation of Kosmicheskaya Biologiya Meditsina. 1967-70.Vol. 2, Pg. 289, 1968. | |
| rat | LD50 | intraperitoneal | 120mg/kg (120mg/kg) | Environmental Space Science. English Translation of Kosmicheskaya Biologiya Meditsina. 1967-70.Vol. 2, Pg. 289, 1968. | |
| rat | LD50 | intravenous | 778mg/kg (778mg/kg) | Environmental Space Science. English Translation of Kosmicheskaya Biologiya Meditsina. 1967-70.Vol. 2, Pg. 289, 1968. | |
| rat | LD50 | oral | 620uL/kg (0.62mL/kg) | SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE BEHAVIORAL: TREMOR SKIN AND APPENDAGES (SKIN): HAIR: OTHER | National Technical Information Service. Vol. OTS0516797, |
| rat | LD50 | subcutaneous | 2200mg/kg (2200mg/kg) | Environmental Space Science. English Translation of Kosmicheskaya Biologiya Meditsina. 1967-70.Vol. 2, Pg. 289, 1968. |
Consensus Reports
Community Right-To-Know List. Reported in EPA TSCA Inventory.
Safety Profile
Safety Information of Diethanolamine (CAS No.111-42-2):
Hazard Codes: 
Xn
Risk Statements: 22-38-41-48/22
R22:Harmful if swallowed.
R38:Irritating to skin.
R41:Risk of serious damage to the eyes.
R48/22:Harmful: danger of serious damage to health by prolonged exposure if swallowed.
Safety Statements: 26-36/37/39-46
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
S46:If swallowed, seek medical advice immediately and show this container or label.
RIDADR: 3267
WGK Germany: 1
RTECS: KL2975000
F: 3
PackingGroup: II
Hazardous Substances Data: 111-42-2(Hazardous Substances Data)
Standards and Recommendations
OSHA PEL: TWA 3 ppm
ACGIH TLV: TWA 0.46 ppm (skin)
Analytical Methods
For occupational chemical analysis use NIOSH: Aminoethanol Compounds II 3509.
Specification
Diethanolamine (CAS No.111-42-2), it also can be called 2,2'-Dihydroxydiethylamine ; 2,2'-Iminodiethanol ; Bis(2-hydroxyethyl)amine ; DEA .It is solid or viscous liquid with an amine odour.