Consensus flow list

Identity

Type
Neutral molecule
CAS
131-11-3
EC
205-011-6
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for Dimethyl Phthalate

Alternative labels

17

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string NIQCNGHVCWTJSM-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C10H10O4/c1-13-9(11)7-5-3-4-6-8(7)10(12)14-2/h3-6H,1-2H3
IUPAC name chemrof:IUPAC_name Dimethyl Phthalate
Molecular formula chemrof:molecular_formula C10H10O4
Molecular mass chemrof:molecular_mass 194.186
Monoisotopic mass chemrof:monoisotopic_mass 194.057909, 194.05791
SMILES string chemrof:smiles_string COC(=O)c1ccccc1C(=O)OC

Known URLs

25

Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.

Resource URL Recorded by
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=131-11-3 enrich_references.chebi_xrefs
cdc.gov https://www.cdc.gov/niosh-rtecs/TI180858.html enrich_references.pubchem_identifier_url
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:4609 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.004.557 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0261 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID3022455 enrich_references.pubchem_identifier_url
drugbank.ca https://www.drugbank.ca/drugs/DB13336 enrich_references.pubchem_identifier_url
drugcentral drugcentral:4771 enrich_references.chebi_xrefs
drugcentral.org https://drugcentral.org/drugcard/4771 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=15398 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL323348 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/08X7F5UDJM enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0251388 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J5.557C enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C11233 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C11233 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=67565 enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C76750 enrich_references.pubchem_identifier_url
platform.opentargets.org https://platform.opentargets.org/drug/CHEMBL323348 enrich_references.pubchem_identifier_url
ppdb ppdb:2989 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/8554 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#3082 enrich_references.pubchem_identifier_url
vsdb vsdb:2989 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q423551 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Dimethyl_phthalate enrich_references.pubchem_identifier_url

Elementary flows

15
Flow Context Source Unit CFs
041f8413-6556-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
fe0acd60-3ddc-11dd-a880-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
3c464818-df8e-422f-932d-fd9f824290b2 Environmental → Air → Indoor EF 3.1 kg 4
fe0acd60-3ddc-11dd-a87f-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 0
fe0acd60-3ddc-11dd-a881-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
fe0acd60-3ddc-11dd-a87e-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 4
fe0acd60-3ddc-11dd-a87c-0050c2490048 Environmental → Ground → Agricultural EF 3.1 kg 4
fe0acd60-3ddc-11dd-a58a-0050c2490048 Environmental → Ground → Non-agricultural EF 3.1 kg 4
e9ea26f584f1f34e8413da7ec7da183b799729a1 Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
fe0acd60-3ddc-11dd-a87d-0050c2490048 Environmental → Ground → Unknown EF 3.1 kg 4
fe0acd60-3ddc-11dd-a588-0050c2490048 Environmental → Water → Long-term EF 3.1 kg 0
fe0acd60-3ddc-11dd-a58b-0050c2490048 Environmental → Water → Ocean EF 3.1 kg 4
fe0acd60-3ddc-11dd-a587-0050c2490048 Environmental → Water → Surface water EF 3.1 kg 4
740a5ac2d6dc4efb040bcbb3e4e5d5b41140e7f6 Environmental → Water → Unconfined aquifer ecoinvent algorithm addition kg 0
fe0acd60-3ddc-11dd-a589-0050c2490048 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON
{
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  ],
  "altLabel": [
    {
      "@value": "1,2-Benzenedicarboxylic acid, 1,2-dimethyl ester",
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    {
      "@value": "1,2-Dimethyl benzene-1,2-dicarboxylate",
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    },
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    {
      "@value": "Dimethyl 1,2-benzenedicarboxylate",
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    },
    {
      "@value": "Dimethyl o-phthalate",
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    {
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      "@value": "Fermine",
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    },
    {
      "@value": "Mipax",
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    {
      "@value": "NTM",
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    },
    {
      "@value": "Palatinol M",
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    },
    {
      "@value": "Phthalic acid, dimethyl ester",
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      "@value": "Repeftal",
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    },
    {
      "@value": "Solvanom",
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    {
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    },
    {
      "@value": "Unimoll DM",
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  "properties": {
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  "references": [
    {
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