Brightway Flows 1.0
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O-xylene

fo-7ff6aa73f27b857c

Identity

Type
Neutral molecule
CAS
95-47-6
EC
202-422-2
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for O-xylene

Alternative labels

13

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string CTQNGGLPUBDAKN-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3
IUPAC name chemrof:IUPAC_name 1,2-Dimethylbenzol
Molecular formula chemrof:molecular_formula C8H10
Molecular mass chemrof:molecular_mass 106.168
Monoisotopic mass chemrof:monoisotopic_mass 106.07825
SMILES string chemrof:smiles_string Cc1ccccc1C

Known URLs

41

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=95-47-6 enrich_references.chebi_xrefs
cdc.gov https://www.cdc.gov/niosh-rtecs/ZE256250.html enrich_references.pubchem_identifier_url
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:28063 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.002.203 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0084 enrich_references.pubchem_identifier_url
ChemSpider https://www.chemspider.com/Chemical-Structure.6967.html enrich_references.chebi_xrefs
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID3021807 enrich_references.pubchem_identifier_url
DrugBank https://go.drugbank.com/drugs/DB03029 enrich_references.chebi_xrefs
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=60920 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL45005 enrich_references.pubchem_identifier_url
foodb.food foodb.food:FDB005819 enrich_references.chebi_xrefs
gmelin gmelin:67796 enrich_references.chebi_xrefs
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/Z2474E14QP enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0059851 enrich_references.chebi_xrefs
hts.usitc.gov https://hts.usitc.gov/search?query=2902.41.00.00 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.563G enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C07212 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C07212 enrich_references.pubchem_identifier_url
knapsack knapsack:C00056020 enrich_references.chebi_xrefs
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=51574 enrich_references.pubchem_identifier_url
MetaCyc https://metacyc.org/compound?orgid=META&id=CPD-1421 enrich_references.chebi_xrefs
pdb-ccd pdb-ccd:OXE enrich_references.chebi_xrefs
pharos.nih.gov https://pharos.nih.gov/ligands/T3U3TPV1R9MX enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/7237 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#1307 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/10598955 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/11357330 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/18656653 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/19167006 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22960059 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24246944 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24421258 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/28621498 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/31911380 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/33465657 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/7399721 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/7691530 enrich_references.chebi_xrefs
reaxys reaxys:1815558 enrich_references.chebi_xrefs
umbbd.compound umbbd.compound:c0248 enrich_references.chebi_xrefs
Wikidata https://www.wikidata.org/wiki/Q2988108 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/O-Xylene enrich_references.chebi_xrefs

Elementary flows

15
Flow Context Source Unit CFs
08a91e70-3ddc-11dd-9750-0050c2490048 Environmental → Air → Aircraft cruise height EF 3.1 kg 5
08a91e70-3ddc-11dd-974e-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 5
a19f5c87-7bb7-4e03-846e-b6ac5eee1cc0 Environmental → Air → Indoor EF 3.1 kg 4
08a91e70-3ddc-11dd-974d-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 1
08a91e70-3ddc-11dd-974f-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 5
08a91e70-3ddc-11dd-974c-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 5
08a91e70-3ddc-11dd-974a-0050c2490048 Environmental → Ground → Agricultural EF 3.1 kg 4
08a91e70-3ddc-11dd-9754-0050c2490048 Environmental → Ground → Non-agricultural EF 3.1 kg 4
08a91e70-3ddc-11dd-974b-0050c2490048 Environmental → Ground → Unknown EF 3.1 kg 4
08a91e70-3ddc-11dd-9752-0050c2490048 Environmental → Water → Long-term EF 3.1 kg 0
08a91e70-3ddc-11dd-9755-0050c2490048 Environmental → Water → Ocean EF 3.1 kg 4
ff87c86122d8cdd6ef40b34e21837ceb512887ad Environmental → Water → River bafu algorithm addition kg 0
08a91e70-3ddc-11dd-9751-0050c2490048 Environmental → Water → Surface water EF 3.1 kg 4
f314b0b0fe2b13d195bdefc6b5ba1dafb1c9c4a4 Environmental → Water → Unconfined aquifer ecoinvent algorithm addition kg 0
08a91e70-3ddc-11dd-9753-0050c2490048 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 
{
  "flow_object_id": "fo-7ff6aa73f27b857c",
  "prefLabel": [
    {
      "@value": "O-xylene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1,2-dimethylbenzene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "1,2-Dimethylbenzol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "http://purl.obolibrary.org/obo/CHEBI_28063"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "1,2-xylene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "2-Methyltoluene",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-xylene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "3,4-Dimethylbenzene",
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      "provenance": {
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    },
    {
      "@value": "3,4-xylene",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Benzene, 1,2-dimethyl-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "o-Dimethylbenzene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "o-Methyltoluene",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "o-Xylol",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "ORTHO-XYLENE",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Orthoxylene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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  ],
  "properties": {
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      ],
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      "rdfs:label": "Molecular formula",
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        },
        {
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          "prov:hadPrimarySource": [
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    },
    "https://w3id.org/chemrof/smiles_string": {
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      "rdfs:label": "SMILES",
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          "prov:hadPrimarySource": [
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      ],
      "attested_by": {
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    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3"
      ],
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      "attested_by": {
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    "https://w3id.org/chemrof/inchi2d_key_string": {
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      "@value": [
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    "https://w3id.org/chemrof/monoisotopic_mass": {
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          "prov:hadPrimarySource": [
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    "https://w3id.org/chemrof/elemental_charge": {
      "@id": "https://w3id.org/chemrof/elemental_charge",
      "@value": [
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      "attested_by": {
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    "https://w3id.org/chemrof/IUPAC_name": {
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      "rdfs:label": "IUPAC name",
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  },
  "references": [
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