<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">1912</id>
  <title>T3D1908</title>
  <common-name>1,1-Dichloropropene</common-name>
  <description>1,1-Dichloropropene is a industrial solvent; no information on specific uses is available in standard government and industry sources (L893).</description>
  <cas>563-58-6</cas>
  <pubchem-id>11245</pubchem-id>
  <chemical-formula>C3H4Cl2</chemical-formula>
  <weight>109.969010</weight>
  <appearance>Liquid (L893).</appearance>
  <melting-point></melting-point>
  <boiling-point>76.5°C</boiling-point>
  <density nil="true"/>
  <solubility></solubility>
  <specific-gravity nil="true"/>
  <flash-point nil="true"/>
  <vapour-pressure nil="true"/>
  <route-of-exposure>Inhalation (L893) ; oral (L893) ; dermal (L893) ;  eye contact (L893).</route-of-exposure>
  <target nil="true"/>
  <mechanism-of-toxicity>The primary toxic effects of 1,1-dichloropropene are portal-of-entry effects resulting from the chemical reactivity of the compound and its physicochemical properties. Repeated irritation results in a hyperplastic response in the target tissues. The mutagenicity of 1,1-dichloropropene has been related to its glutathione transferase-dependent bioactivation by the thiolate ion of glutathione and the resulting episulfonium ion (L893).</mechanism-of-toxicity>
  <metabolism>Glutathione transferase catalyzes the bioactivation of 1,1-dichloropropene by glutathione to a singleunsaturated S-conjugate retaining one chlorine atom. It was postulated that the thiolate ion of glutathione could attack 1,1-dichloropropene at either the C1 or C2 position, with attack at the C2 position resulting in the formation of a mutagenic episulfonium ion (L893).</metabolism>
  <toxicity nil="true"/>
  <lethaldose nil="true"/>
  <carcinogenicity>No indication of carcinogenicity (not listed by IARC). (L135)</carcinogenicity>
  <use-source>Breathing in contaminated air; drinking contaminated water; eating contaminated food; dermal and eye exposure (L893).</use-source>
  <min-risk-level nil="true"/>
  <health-effects>Ingestion of 1,1-D can lead to developed gastrointestinal distress, adult respiratory distress syndrome, hematological and hepatorenal functional impairment,  acute gastrointestinal distress with pulmonary congestion and edema, central nervous depression, perhaps even in the absence of impaired oxygen uptake. Moreover, this can lead to death. Coma may occur rapidly after inhalation. Severe skin irritation with marked inflammatory response of epidermis can underlying tissues can follow dermal exposure. By any route, possible late injuries to liver, kidneys and heart (T48). </health-effects>
  <symptoms>Symptoms occuring after inhalation include gasping, refusal to breathe, coughing, substernal pain; lacrimation and headache are prominant. After inhalation exposures, malaise, headache, chest and abdominal discomfort and irritability can persist during weeks or years. Moreover, Irritation of eyes and upper respiratory mucosa appears promptly after exposure to concentrated vapors.  Ingestion can cause cough, sore throat, headache, dizziness, nausea, vomiting, unconsciousness, and laboured breathing (T48, L893).</symptoms>
  <treatment>Following oral exposure, administer charcoal as a slurry. Monitor liver and kidney function; elevations may not be seen for several days. Following eye exposure, irrigate exposed eyes with copious amounts of room temperature water for at least 15 minutes. If irritation, pain, swelling, lacrimation, or photophobia persist, the patient should be seen in a health care facility. Following dermal exposure,  remove contaminated clothing and wash exposed area thoroughly with soap and water. Following inhalation, move patient to fresh air, even though initial symptoms and signs are mild; keep the victim quiet, in a semi-reclining position. Minimum physical activity limits the likehood of pulmonary edema. If victim is not breathing, clear the airway of secretions and resuscitate with positive pressure oxygen apparatus. If this is not available, use chest compression to sustain respiration. (T36, A568)</treatment>
  <created-at type="dateTime">2009-06-24T15:20:01Z</created-at>
  <updated-at type="dateTime">2014-12-24T20:24:52Z</updated-at>
  <interacting-proteins>Cytochrome P450  (L893); Glutathione-S-Trasferase(L893); </interacting-proteins>
  <wikipedia nil="true"/>
  <uniprot-id nil="true"/>
  <kegg-compound-id></kegg-compound-id>
  <omim-id></omim-id>
  <chebi-id></chebi-id>
  <biocyc-id>PROPENE</biocyc-id>
  <ctd-id nil="true"/>
  <stitch-id>1,1-Dichloropropene</stitch-id>
  <drugbank-id nil="true"/>
  <pdb-id nil="true"/>
  <actor-id>6713</actor-id>
  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins>Glutathione S-transferase P (P09211) 
Glutathione S-transferase Mu 1 (P09488) 
Glutathione S-transferase A1 (P08263) 
Glutathione S-transferase theta-2 (P30712) 
Glutathione S-transferase Mu 4 (Q03013) 
Glutathione S-transferase theta-1 (P30711) 
Glutathione S-transferase A4 (O15217) 
Glutathione S-transferase A2 (P09210) 
Glutathione S-transferase A3 (Q16772) 
Glutathione S-transferase Mu 3 (P21266) 
Glutathione S-transferase omega-1 (P78417) 
Glutathione S-transferase kappa 1 (Q9Y2Q3) 
Glutathione S-transferase Mu 2 (P28161) 
Glutathione S-transferase omega-2 (Q9H4Y5) 
Glutathione S-transferase A5 (Q7RTV2) 
Glutathione S-transferase Mu 5 (P46439) 
Glutathione S-transferase theta-4 (A8MPT4) 
Maleylacetoacetate isomerase (O43708) 
Microsomal glutathione S-transferase 1 (P10620) 
Microsomal glutathione S-transferase 2 (Q99735) 
Microsomal glutathione S-transferase 3 (O14880) 
(L893)</metabolizing-proteins>
  <transporting-proteins nil="true"/>
  <moldb-smiles>CC=C(Cl)Cl</moldb-smiles>
  <moldb-formula>C3H4Cl2</moldb-formula>
  <moldb-inchi>InChI=1S/C3H4Cl2/c1-2-3(4)5/h2H,1H3</moldb-inchi>
  <moldb-inchikey>InChIKey=ZAIDIVBQUMFXEC-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">110.97</moldb-average-mass>
  <moldb-mono-mass type="decimal">109.969005542</moldb-mono-mass>
  <origin>Exogenous</origin>
  <state>Liquid</state>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id>CHEMBL1595845</chembl-id>
  <chemspider-id>10771</chemspider-id>
  <structure-image-file-name nil="true"/>
  <structure-image-content-type nil="true"/>
  <structure-image-file-size type="integer" nil="true"/>
  <structure-image-updated-at type="dateTime" nil="true"/>
  <biodb-id nil="true"/>
  <synthesis-reference></synthesis-reference>
  <structure-image-caption nil="true"/>
</compound>
