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Naphthalene-1-methanol

fo-c8a37375221ff1de

Identity

Type
Neutral molecule
CAS
4780-79-4
EC
225-324-1
Origin
EF 3.1 hybrid_name_cas_v1
Changes
57 across every transformer

Structure

Structure diagram for Naphthalene-1-methanol

Alternative labels

13

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string PBLNHHSDYFYZNC-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C11H10O/c12-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7,12H,8H2
IUPAC name chemrof:IUPAC_name Naphthalene-1-methanol
Molecular formula chemrof:molecular_formula C11H10O
Molecular mass chemrof:molecular_mass 158.2
Monoisotopic mass chemrof:monoisotopic_mass 158.07316, 158.073165
SMILES string chemrof:smiles_string OCc1cccc2ccccc12

Known URLs

17

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=4780-79-4 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:38137 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.023.022 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID30197295 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=5315 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1288 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/4L2MEJ1Q34 enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0060322 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J215A enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C14089 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C14089 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=52213 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/20908 enrich_references.pubchem_compound
PubMed https://pubmed.ncbi.nlm.nih.gov/5476720 enrich_references.chebi_xrefs
reaxys reaxys:2042532 enrich_references.chebi_xrefs
umbbd.compound umbbd.compound:c0720 enrich_references.chebi_xrefs
Wikidata https://www.wikidata.org/wiki/Q27104433 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
b36c458b-0c03-4c64-bc9c-8409af1abb9b Environmental → Air → Aircraft cruise height EF 3.1 kg 2
1c09fd0f-0b7a-4c5f-b981-7c090a64ea7f Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
fac54264-29f0-4db7-bfe3-95362f99900c Environmental → Air → Indoor EF 3.1 kg 2
5e09e981-8a99-4e30-b394-15651cc10e86 Environmental → Air → Long-term EF 3.1 kg 0
3a3cb24b-99e5-4b2e-930e-a248ae4d72b4 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
cc9ae7e6-793e-4fa8-a05a-ed42e5855853 Environmental → Air → Unknown EF 3.1 kg 2
d52217af-2646-4b08-bb63-5015ef9819e2 Environmental → Ground → Agricultural EF 3.1 kg 2
3bb375bb-96ff-42b8-8873-5e49b32f1ae3 Environmental → Ground → Non-agricultural EF 3.1 kg 2
35b0bdb0-4d34-42e9-a5f1-f702d4892664 Environmental → Ground → Unknown EF 3.1 kg 2
f55e4b75-04c5-4b1e-b747-c7f225b664c9 Environmental → Water → Long-term EF 3.1 kg 0
d636c49e-0772-461e-b1c3-8d45325aeb56 Environmental → Water → Ocean EF 3.1 kg 2
63b577cc-3d95-46c1-a698-15e8cfce010a Environmental → Water → Surface water EF 3.1 kg 2
3d4e1401-ba8c-4a6c-8314-18bd515fdd87 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (57 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-c8a37375221ff1de",
  "prefLabel": [
    {
      "@value": "Naphthalene-1-methanol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "(1-naphthyl)methanol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "http://purl.obolibrary.org/obo/CHEBI_38137"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "(naphthalen-1-yl)methanol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "http://purl.obolibrary.org/obo/CHEBI_38137"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "1-(Hydroxymethyl)naphthalene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1-Hydroxymethylnaphthalene",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "1-menaphthyl alcohol",
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "1-Naphthalenemethanol",
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      }
    },
    {
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    },
    {
      "@value": "1-Naphthylenemethanol",
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      }
    },
    {
      "@value": "1-naphthylmethanol",
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    {
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    },
    {
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    },
    {
      "@value": "α-Naphthylcarbinol",
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    },
    {
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}

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You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works

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