Brightway Flows 1.0
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2,5-xylenol

fo-cc6a8700314615be

Identity

Type
Neutral molecule
CAS
95-87-4
EC
202-461-5
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for 2,5-xylenol

Alternative labels

11

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string NKTOLZVEWDHZMU-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C8H10O/c1-6-3-4-7(2)8(9)5-6/h3-5,9H,1-2H3
IUPAC name chemrof:IUPAC_name 2,5-xylenol
Molecular formula chemrof:molecular_formula C8H10O
Molecular mass chemrof:molecular_mass 122.167
Monoisotopic mass chemrof:monoisotopic_mass 122.07316, 122.073165
SMILES string chemrof:smiles_string Cc1ccc(C)c(O)c1

Known URLs

34

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=25498-21-9 enrich_references.pubchem_identifier_url
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=95-87-4 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:191381 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.002.238 enrich_references.pubchem_identifier_url
ChemSpider https://www.chemspider.com/Chemical-Structure.13839128.html enrich_references.chebi_xrefs
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID6025145 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=2599 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL192591 enrich_references.pubchem_identifier_url
femaflavor.org https://www.femaflavor.org/flavor-library/25-xylenol enrich_references.pubchem_identifier_url
foodb.food foodb.food:FDB002413 enrich_references.chebi_xrefs
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/XH3E3564KX enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0030540 enrich_references.chebi_xrefs
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J43.459K enrich_references.pubchem_identifier_url
knapsack knapsack:C00052609 enrich_references.chebi_xrefs
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=44446 enrich_references.pubchem_identifier_url
MetaCyc https://metacyc.org/compound?orgid=META&id=CPD-16609 enrich_references.chebi_xrefs
pmc pmc:PMC217231 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/7267 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#2261 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/1518957 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/16267294 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/16633656 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22392083 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/25641836 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/27310574 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/27987461 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/30827565 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/32626269 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/3730312 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/4330964 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/6995451 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/8199688 enrich_references.chebi_xrefs
reaxys reaxys:1099260 enrich_references.chebi_xrefs
Wikidata https://www.wikidata.org/wiki/Q26840762 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
6cce058f-ad98-4119-abf8-57cfe802347a Environmental → Air → Aircraft cruise height EF 3.1 kg 2
9a0f60cd-d937-4eb8-95d5-0a69380706e4 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
0a0e45b7-f396-4ef1-b712-1dd377af13ca Environmental → Air → Indoor EF 3.1 kg 2
1eaf41f1-cc97-4731-baff-c935c963035b Environmental → Air → Long-term EF 3.1 kg 0
aabce1a4-3a44-4f24-aa4a-35e6cb77c196 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
e6ede92d-0922-4125-b8b6-3fc6c8d33293 Environmental → Air → Unknown EF 3.1 kg 2
1029894c-5f8f-4ea2-8667-7be9baa6efe2 Environmental → Ground → Agricultural EF 3.1 kg 2
531cf884-a016-4f9c-bc39-43e5a09df0b2 Environmental → Ground → Non-agricultural EF 3.1 kg 2
865c5c2f-52e7-439c-97e5-f56d55264ea2 Environmental → Ground → Unknown EF 3.1 kg 2
1c8bc05f-3344-461c-9cf1-e17cb0c0e601 Environmental → Water → Long-term EF 3.1 kg 0
58ae278d-de74-4550-9f97-e6077ecf3cc2 Environmental → Water → Ocean EF 3.1 kg 2
6b770b9f-6aac-4fc6-8c8b-56be89a62a8b Environmental → Water → Surface water EF 3.1 kg 2
d30e05b4-23bc-40e6-8358-7482702475d0 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-cc6a8700314615be",
  "prefLabel": [
    {
      "@value": "2,5-xylenol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1,2,5-xylenol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "1,4-dimethyl-2-hydroxybenzene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "2,5-Dmp",
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        "prov:wasDerivedFrom": "chebi synonym match"
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    },
    {
      "@value": "2-hydroxy-p-xylene",
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    },
    {
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    },
    {
      "@value": "6-methyl-m-cresol",
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        "prov:wasDerivedFrom": "chebi synonym match"
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    },
    {
      "@value": "p-xylenol",
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    },
    {
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