Consensus flow list

Identity

Type
Neutral molecule
CAS
608-25-3
EC
210-155-8
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 2-methylbenzene-1,3-diol

Alternative labels

10

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string ZTMADXFOCUXMJE-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C7H8O2/c1-5-6(8)3-2-4-7(5)9/h2-4,8-9H,1H3
IUPAC name chemrof:IUPAC_name 2-methylbenzene-1,3-diol
Molecular formula chemrof:molecular_formula C7H8O2
Molecular mass chemrof:molecular_mass 124.139
Monoisotopic mass chemrof:monoisotopic_mass 124.052429
SMILES string chemrof:smiles_string Cc1c(O)cccc1O

Known URLs

9

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=608-25-3 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.009.233 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID0025571 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=66524 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL2332773 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/32W7044A3T enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J71.615D enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/11843 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q9549707 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
5d395209-0d69-45d2-8cba-2f1e0a45b83c Environmental → Air → Aircraft cruise height EF 3.1 kg 2
50d549e3-f0d1-4805-976e-d390e4ad4666 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
ef7034b4-8b04-4454-866f-ad43db5ef246 Environmental → Air → Indoor EF 3.1 kg 2
1368fbb1-3839-4fe2-9ed7-8923c5f44b59 Environmental → Air → Long-term EF 3.1 kg 0
65001052-b3ef-4660-907e-9d0d0302eeaf Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
69852cc4-fd6b-4f4d-809b-20781f74663e Environmental → Air → Unknown EF 3.1 kg 2
4a503dfc-56a3-4e0c-bb9a-bc02c1586075 Environmental → Ground → Agricultural EF 3.1 kg 2
d94a3052-751d-4410-af9e-f0060eca79f8 Environmental → Ground → Non-agricultural EF 3.1 kg 2
6db9e4d3-47f3-4ef4-a036-75934e762750 Environmental → Ground → Unknown EF 3.1 kg 2
7e81fce7-d4c5-4a1d-9870-ccc6b5ae8c78 Environmental → Water → Long-term EF 3.1 kg 0
ed2c6928-908d-41dd-816e-ae290552dced Environmental → Water → Ocean EF 3.1 kg 2
91e1d783-5f60-4fb9-9f3d-70897baccb94 Environmental → Water → Surface water EF 3.1 kg 2
6ee57196-9e8f-4f4e-82f9-52e860240c2b Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-61f8e3b807c82ffe",
  "prefLabel": [
    {
      "@value": "2-methylbenzene-1,3-diol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:hadPrimarySource": [
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        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1,3-Benzenediol, 2-methyl-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1,3-Dihydroxy-2-methylbenzene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2,6-Dihydroxytoluene",
      "@language": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Methyl-1,3-benzenediol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Methyl-1,3-dihydroxybenzene",
      "@language": "en",
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    },
    {
      "@value": "2-Methylresorcin",
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    },
    {
      "@value": "2-Methylresorcinol",
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    {
      "@value": "Resorcinol, 2-methyl-",
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    },
    {
      "@value": "Rodol MRP",
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    {
      "@value": "Toluene-2,6-diol",
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}

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