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tris-hydroxymethylnitromethane
isobutylglycerol, nitro-

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Name:2-(hydroxymethyl)-2-nitropropane-1,3-diol
CAS Number: 126-11-4Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:204-769-5
FDA UNII: 3E794G4ZRB
Nikkaji Web:J2.509G
Beilstein Number:1768985
MDL:MFCD00007395
XlogP3-AA:-2.20 (est)
Molecular Weight:151.11873000
Formula:C4 H9 N O5
BioActivity Summary:listing
NMR Predictor:Predict (works with chrome, Edge or firefox)
Category:antimicrobial agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar:Search
Google Books:Search
Google Scholar: with word "volatile"Search
Google Scholar: with word "flavor"Search
Google Scholar: with word "odor"Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
PubMed:Search
NCBI:Search
 
Physical Properties:
Appearance:white solid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Melting Point: 165.00 °C. @ 760.00 mm Hg
Boiling Point: 445.60 °C. @ 760.00 mm Hg (est)
Vapor Pressure:3.200000 mmHg @ 25.00 °C. (est)
Flash Point: 409.00 °F. TCC ( 209.30 °C. ) (est)
logP (o/w): 0.350 (est)
Soluble in:
 water, 2.20E+06 mg/L @ 20 °C (exp)
 water, 8.037e+005 mg/L @ 25 °C (est)
 
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: antimicrobial agents
 
Suppliers:
BOC Sciences
For experimental / research use only.
Tris(hydroxymethyl)nitromethane 97%
Santa Cruz Biotechnology
For experimental / research use only.
Tris(hydroxymethyl)nitromethane
Sigma-Aldrich: Aldrich
For experimental / research use only.
tris-Hydroxymethylnitromethane 98%
sds
TCI AMERICA
For experimental / research use only.
2-(Hydroxymethyl)-2-nitro-1,3-propanediol >99.0%(GC)
sds
 
Safety Information:
Preferred SDS: View
 
Hazards identification
 
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements
 
Pictogram
 
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
intraperitoneal-mouse LD50 4000 mg/kg
Khimiko-Farmatsevticheskii Zhurnal. Chemical Pharmaceutical Journal. For English translation, see PCJOAU. Vol. 11(1), Pg. 73, 1977.

oral-mouse LD50 1900 mg/kg
Pesticide Chemicals Official Compendium, Association of the American Pesticide Control Officials, Inc., 1966. Vol. -, Pg. 1198, 1966.

oral-rabbit LDLo 250 mg/kg
LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: COMA
Journal of Industrial Hygiene and Toxicology. Vol. 22, Pg. 315, 1940.

oral-rat LD50 1900 mg/kg
Industrial Medicine and Surgery. Vol. 39, Pg. 56, 1970.

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category:
antimicrobial agents
Recommendation for tris-hydroxymethylnitromethane usage levels up to:
 not for fragrance use.
 
Recommendation for tris-hydroxymethylnitromethane flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):126-11-4
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :31337
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
2-(hydroxymethyl)-2-nitropropane-1,3-diol
Chemidplus:0000126114
RTECS:TY7350000 for cas# 126-11-4
 
References:
 2-(hydroxymethyl)-2-nitropropane-1,3-diol
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:126-11-4
Pubchem (cid):31337
Pubchem (sid):134973374
 
Other Information:
(IUPAC):Atomic Weights of the Elements 2011 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
CHEMBL:View
HMDB (The Human Metabolome Database):Search
Export Tariff Code:2905.50.5000
ChemSpider:View
Formulations/Preparations:
•trade name: cimcool wafers •technical grade active ingredient, manufacturing use, end use; soluble concentrateliquid, soluble concentratesolid, pelletedtableted, crystalline (19.2-100% active ingredient)
 
Potential Blenders and core components note
None Found
 
Potential Uses:
 viscosity controlling agents
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
isobutylglycerol, nitro-
 cimcool wafers
2-hydroxymethyl-2-nitropropane-1,3-diol
tris(hydroxymethyl) nitromethane
2-(hydroxymethyl)-2-nitro-1,3-propanediol
2-(hydroxymethyl)-2-nitropropane-1,3-diol
2-(hydroxymethyl)-2-nitropropanediol
1,1,1-tris(hydroxymethyl)nitromethane
tris(hydroxymethyl)nitromethane
 methane, trimethylolnitro-
2-nitro-2-(hydroxymethyl)-1,3-propanediol
 nitroisobutylglycerol
 nitromethylidynetrimethanol
 nitrotris(hydroxymethyl)methane
 trihydroxymethylnitromethane
 trimethylolnitromethane
 tris nitro
 

Articles:

PubMed:Aliphatic β-nitroalcohols for therapeutic corneoscleral cross-linking: chemical stability studies using 1H-NMR spectroscopy.
PubMed:Aliphatic β-nitroalcohols for therapeutic corneoscleral cross-linking: corneal permeability considerations.
PubMed:Aliphatic beta-nitroalcohols for therapeutic corneoscleral cross-linking: chemical mechanisms and higher order nitroalcohols.
PubMed:Unprecedented selective ipso-nitration of calixarenes monitored by the O-substituents.
PubMed:Allergic contact dermatitis in two machinists.
PubMed:Isolation of an enzyme from soil that degrades the organophosphorus insecticide, crotoxyphos.
 
Notes:
formaldehyde-releasing cutting oil biocide implicated in allergic contact dermatitis.
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