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dichloroacetic acid
dichloroethanoic acid

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Name:2,2-dichloroacetic acid
CAS Number: 79-43-6Picture of molecule3D/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, Edge 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
sds
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%
sds
TCI AMERICA
For experimental / research use only.
Dichloroacetic Acid >98.0%(GC)(T)
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:
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
 

Articles:

PubMed:Long-term dietary exposure to low concentration of dichloroacetic acid promoted longevity and attenuated cellular and functional declines in aged Drosophila melanogaster.
PubMed:Nephroprotective effect of date fruit extract against dichloroacetic acid exposure in adult rats.
PubMed:Pharmacological activation of the pyruvate dehydrogenase complex reduces statin-mediated upregulation of FOXO gene targets and protects against statin myopathy in rodents.
PubMed:Vitamin E restriction in the diet enhances phagocytic activation by dichloroacetate and trichloroacetate in mice.
PubMed:Analysis of in vivo mutation data can inform cancer risk assessment.
PubMed:Trials and tribulations.
PubMed:Treatment for mitochondrial disorders.
PubMed:Analysis of dichloroacetic acid in rat blood and tissues by hydrophilic interaction liquid chromatography with tandem mass spectrometry.
PubMed:Elevated blood lactate is not a primary cause of anorexia in tumor-bearing rats.
PubMed:Pharmacokinetics and metabolism of [14C]dichloroacetate in male Sprague-Dawley rats. Identification of glycine conjugates, including hippurate, as urinary metabolites of dichloroacetate.
PubMed:Effect of dexamethasone on gluconeogenesis, pyruvate kinase, pyruvate carboxylase and pyruvate dehydrogenase flux in isolated hepatocytes.
PubMed:Consideration of the target organ toxicity of trichloroethylene in terms of metabolite toxicity and pharmacokinetics.
PubMed:Subacute toxicity of trichloroacetic acid in male and female rats.
PubMed:Effects of various doses of sodium dichloroacetate on hyperlactatemia in fed ischemic rats.
PubMed:Dichloroacetate treatment of ischemic cerebral lactic acidosis in the fed rat.
PubMed:Regulation of renal and hepatic pyruvate dehydrogenase complex on carbohydrate re-feeding after starvation. Possible mechanisms and a regulatory role for thyroid hormone.
PubMed:Effect of chloroacetic acids on the kidneys.
PubMed:Hepatic glycogen synthesis on carbohydrate re-feeding after starvation. A regulatory role for pyruvate dehydrogenase in liver and extrahepatic tissues.
PubMed:Comparison of the metabolic and toxic effects of 2-chloropropionate and dichloroacetate.
PubMed:Role of pyruvate dehydrogenase and insulin in the regulation of lipogenesis in the lactating mammary gland of the rat during the starved-refed transition.
 
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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