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Substance Name: Diolamine [INN]
RN: 111-42-2
UNII: AZE05TDV2V
InChIKey: ZBCBWPMODOFKDW-UHFFFAOYSA-N

Molecular Formula

  • C4-H11-N-O2

Molecular Weight

  • 105.136
 

Classification Codes

Classification Codes

  • Drug / Therapeutic Agent
  • Pharmaceutic Aid (Alkalizing Agent)
  • Reproductive Effect
  • Skin / Eye Irritant
  • Tumor Data

Superlist Classification Codes

  • Reportable Quantity (RQ) = 100 lb
  • TWA 2 mg/m3; skin

Names and Synonyms

Results Name

  • Diolamine [INN]

Name of Substance

  • 2,2'-Iminobisethanol
  • Diethanolamine
  • Diethanolamine [NF]
  • Diolamine [INN]

Synonyms

  • 2,2'-Dihydroxydiethylamine
  • 2,2'-Iminobisethanol
  • 2,2'-Iminodi-1-ethanol
  • 2,2'-Iminodiethanol
  • 2-(2-Hydroxyethylamino)ethanol
  • 4-04-00-01514 (Beilstein Handbook Reference)
  • AI3-15335
  • Bis(2-hydroxyethyl)amine
  • BRN 0605315
  • CCRIS 5906
  • Dabco DEOA-LF
  • DEA
  • Di(2-hydroxyethyl)amine
  • Di(beta-hydroxyethyl)amine
  • Diaethanolamin
  • Diaethanolamin [German]
  • Diethanolamin
  • Diethanolamin [Czech]
  • Diethanolamine
  • Diethylamine, 2,2'-dihydroxy-
  • Diethylolamine
  • Diolamine
  • Diolamine (VAN)
  • EC 203-868-0
  • EINECS 203-868-0
  • HSDB 924
  • Iminodiethanol
  • N,N'-Iminodiethanol
  • N,N-Bis(2-hydroxyethyl)amine
  • N,N-Di(hydroxyethyl)amine
  • N,N-Diethanolamine
  • NCI-C55174
  • Niax DEOA-LF
  • NSC 4959
  • UNII-AZE05TDV2V

Systematic Names

  • 2,2'-Iminobisethanol
  • 2,2'-Iminodiethanol
  • Diethanolamine
  • Ethanol, 2,2'-iminobis-
  • Ethanol, 2,2'-iminodi-

Superlist Names

  • Diethanolamine
  • Ethanol, 2,2'-iminobis-
  • Ethanol, 2,2'-iminodi-

Registry Numbers

CAS Registry Number

  • 111-42-2

FDA UNII

  • AZE05TDV2V

Other Registry Number

  • 8033-73-6

Related Registry Numbers

  • 14426-21-2 (hydrochloride)
  • 20261-60-3 (sulfate[2:1] salt)
  • 23251-72-1 (acetate salt)
  • 29870-32-4 (phosphate salt)
  • 50909-06-3 (maleate)
  • 59219-56-6 (sulfate[1:1])
  • 66085-61-8 (sulfite)
  • 66085-61-8 (sulfite[1:1])

System Generated Number

  • 0000111422

Structure Descriptors

InChI

1S/C4H11NO2/c6-3-1-5-2-4-7/h5-7H,1-4H2

InChIKey

ZBCBWPMODOFKDW-UHFFFAOYSA-N

Smiles

N(CCO)CCO

Toxicity

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: EXCITEMENT

BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
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) BEHAVIORAL: TREMOR

SKIN AND APPENDAGES (SKIN): HAIR: OTHER

SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE
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.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 28 deg C   EXP
Boiling Point 268.8 deg C   EXP
pKa Dissociation Constant 8.96 (none) 25 EXP
log P (octanol-water) -1.43E+00 (none)   EXP
Water Solubility 1.00E+06 mg/L 20 EXP
Vapor Pressure 2.80E-04 mm Hg 25 EXP
Henry's Law Constant 3.87E-11 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 9.27E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.