Articles:
dichloroethanoic acid
Notes:
an acetic acid derivative that is a metabolite of trichloroethylene and is formed during chlorine disinfection of drinking water. it has effects on glucose metabolism, lowers lactate, and activates the pyruvate dehydrogenase complex.
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| CAS Number: | 79-43-6 |  3D/inchi
|
| Other(deleted CASRN): | 42428-47-7 | |
| ECHA EINECS - REACH Pre-Reg: | 201-207-0 | |
| FDA UNII: | 9LSH52S3LQ | |
| Nikkaji Web: | J2.834G | |
| Beilstein Number: | 1098596 | |
| MDL: | MFCD00004223 | |
| XlogP3: | 0.90 (est) | |
| Molecular Weight: | 128.94034000 | |
| Formula: | C2 H2 Cl2 O2 | |
| BioActivity Summary: | listing | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
Category: herbicides / pesticides
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: | colorless crystalline solid (est) |
| Assay: | 95.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 1.56300 @ 25.00 °C. |
| Refractive Index: | 1.46630 @ 20.00 °C. |
| Melting Point: | 13.50 °C. @ 760.00 mm Hg |
| Boiling Point: | 194.00 °C. @ 760.00 mm Hg |
| Vapor Pressure: | 0.196000 mmHg @ 25.00 °C. (est) |
| Vapor Density: | 4.45 ( Air = 1 ) |
| Flash Point: | > 230.00 °F. TCC ( > 110.00 °C. ) |
| logP (o/w): | 0.920 |
| Soluble in: | |
| water, 1.00E+06 mg/L @ 20 °C (exp) | |
| water, 3.776e+004 mg/L @ 25 °C (est) | |
Organoleptic Properties:
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| None found |
Suppliers:
| EMD Millipore |
| For experimental / research use only. |
| Dichloroacetic Acid |
| Penta International |
| DICHLOROACETIC ACID |
| Santa Cruz Biotechnology |
| For experimental / research use only. |
| Dichloroacetic Acid ≥98% |
| Sigma-Aldrich: Aldrich |
| For experimental / research use only. |
| Dichloroacetic acid biotech. grade, ≥98% |
| TCI AMERICA |
| For experimental / research use only. |
| Dichloroacetic Acid >98.0%(GC)(T) |
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: | |
|
oral-rat LD50 2820 mg/kg AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 4, Pg. 119, 1951. | |
| Dermal Toxicity: | |
|
skin-rabbit LD50 510 uL/kg AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 4, Pg. 119, 1951. | |
| Inhalation Toxicity: | |
| Not determined | |
Safety in Use Information:
| Category: | herbicides / pesticides | ||
| Recommendation for dichloroacetic acid usage levels up to: | |||
| not for fragrance use. | |||
| Recommendation for dichloroacetic acid flavor usage levels up to: | |||
| not for flavor use. | |||
Safety References:
| EPI System: | View |
| EPA-Iris: | IRIS |
| NIOSH International Chemical Safety Cards: | search |
| Chemical Carcinogenesis Research Information System: | Search |
| AIDS Citations: | Search |
| Cancer Citations: | Search |
| Toxicology Citations: | Search |
| EPA Substance Registry Services (TSCA): | 79-43-6 |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 6597 |
| National Institute of Allergy and Infectious Diseases: | Data |
| WGK Germany: | 2 |
| 2,2-dichloroacetic acid | |
| Chemidplus: | 0000079436 |
| EPA/NOAA CAMEO: | hazardous materials |
| RTECS: | 79-43-6 |
References:
| 2,2-dichloroacetic acid | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 79-43-6 |
| Pubchem (cid): | 6597 |
| Pubchem (sid): | 134971409 |
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 |
| CHEBI: | View |
| CHEMBL: | View |
| UM BBD: | Search |
| KEGG (GenomeNet): | C11149 |
| HMDB (The Human Metabolome Database): | Search |
| Export Tariff Code: | 2909.19.1800 |
| ChemSpider: | View |
| Wikipedia: | View |
Potential Blenders and core components note
| None Found | ||
Potential Uses:
| None Found |
Occurrence (nature, food, other): note
| not found in nature |
Synonyms:
| acetic acid, 2,2-dichloro- | |
| acetic acid, dichloro- | |
| bichloracetic acid | |
| bichloroacetic acid | |
| DCAA | |
| dichloracetic acid | |
| dichlorethanoic acid | |
| dichloro acetic acid | |
| dichloro-acetic acid | |
| 2,2- | dichloroacetic acid |
| dichloroaceticacid | |
| dichloroethanoic acid | |
| urner's liquid |