Articles:
isobutylglycerol, nitro-
Notes:
formaldehyde-releasing cutting oil biocide implicated in allergic contact dermatitis.
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| CAS Number: | 126-11-4 |  3D/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 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% |
| TCI AMERICA |
| For experimental / research use only. |
| 2-(Hydroxymethyl)-2-nitro-1,3-propanediol >99.0%(GC) |
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 |
| 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:
| iso | butylglycerol, 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 |