Diethanolamine (111-42-2),Diethanolamine (111-42-2) Manufacturers & Suppliers,Synthesis,MSDS

Basic information

Name:
Diethanolamine
CAS No.:
111-42-2
Molecular Structure:
Formula:
C₄H₁₁NO₂
Molecular Weight:
105.16
Deleted CAS:
8033-73-6
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 Description:
26-36/37/39-46 Details
Transport Information:
UN 1760

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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: Harmful 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.