Skip Navigation
ChemIDplus A TOXNET DATABASE Lite•Browse•Advanced

Substance Name: 2-Hydroxymethyl-2-nitro-1,3-propanediol
RN: 126-11-4
UNII: 3E794G4ZRB
InChIKey: OLQJQHSAWMFDJE-UHFFFAOYSA-N

Note

  • Formaldehyde-releasing cutting oil biocide implicated in allergic contact dermatitis.

Molecular Formula

  • C4-H9-N-O5

Molecular Weight

  • 151.117
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Regulatory Agencies (Superlist Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • 1,3-Propanediol, 2-(hydroxymethyl)-2-nitro-
  • 2-(Hydroxymethyl)-2 nitro-1,3-propanediol
  • 2-(Hydroxymethyl)-2-nitro-1,3-propanediol
  • 2-Hydroxymethyl-2-nitro-1,3-propanediol
  • 2-Nitro-2-(hydroxymethyl)-1,3-propanediol
  • Trimethylolnitromethane
  • Tris(hydroxymethyl)nitromethane

Synonyms

  • 1,1,1-Tris(hydroxymethyl)nitromethane
  • 2-(Hydroxymethyl)-2-nitro-1,3-propanediol
  • 2-(Hydroxymethyl)-2-nitropropanediol
  • 2-Hydroxymethyl-2-nitropropane-1,3-diol
  • 2-Nitro-2-(hydroxymethyl)-1,3-propanediol
  • AI3-02259
  • Caswell No. 495
  • Cimcool wafers
  • EINECS 204-769-5
  • EPA Pesticide Chemical Code 083902
  • HSDB 6810
  • Isobutylglycerol, nitro-
  • Methane, trimethylolnitro-
  • Nitroisobutylglycerol
  • Nitrotris(hydroxymethyl)methane
  • NSC 17675
  • Trihydroxymethylnitromethane
  • Trimethylolnitromethane
  • Tris nitro
  • Tris(hydroxymethyl)nitromethane
  • UNII-3E794G4ZRB

Systematic Names

  • 1,3-Propanediol, 2-(hydroxymethyl)-2-nitro-
  • Nitromethylidynetrimethanol

Superlist Names

  • 1,3-Propanediol, 2-(hydroxymethyl)-2-nitro-
  • 2-(Hydroxymethyl)-2-nitro-1,3-propanediol

Registry Numbers

CAS Registry Number

  • 126-11-4

FDA UNII

  • 3E794G4ZRB

System Generated Number

  • 0000126114

Structure Descriptors

InChI

1S/C4H9NO5/c6-1-4(2-7,3-8)5(9)10/h6-8H,1-3H2

InChIKey

OLQJQHSAWMFDJE-UHFFFAOYSA-N

Smiles

C([N+](=O)[O-])(CO)(CO)CO

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 4gm/kg (4000mg/kg)   Khimiko-Farmatsevticheskii Zhurnal. Chemical Pharmaceutical Journal. For English translation, see PCJOAU. Vol. 11(1), Pg. 73, 1977.
mouse LD50 oral 1900mg/kg (1900mg/kg)   Pesticide Chemicals Official Compendium, Association of the American Pesticide Control Officials, Inc., 1966. Vol. -, Pg. 1198, 1966.
rabbit LDLo oral 250mg/kg (250mg/kg) BEHAVIORAL: COMA

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION		 Journal of Industrial Hygiene and Toxicology. Vol. 22, Pg. 315, 1940.
rat LD50 oral 1900mg/kg (1900mg/kg)   Industrial Medicine and Surgery. Vol. 39, Pg. 56, 1970.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 165 deg C   EXP
log P (octanol-water) -1.660 (none)   EST
Water Solubility 2.20E+06 mg/L 20 EXP
Vapor Pressure 1.54E-06 mm Hg 25 EST
Henry's Law Constant 4.82E-12 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.92E-12 cm3/molecule-sec 25 EST

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