Consensus flow list

Identity

Type
NeutralMolecule
CAS
7786-17-6
EC
232-092-5
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 2,2'-methylenebis(4-methyl-6-nonylphenol)

Alternative labels

9

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string XQESJWNDTICJHW-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C33H52O2/c1-5-7-9-11-13-15-17-19-28-21-26(3)23-30(32(28)34)25-31-24-27(4)22-29(33(31)35)20-18-16-14-12-10-8-6-2/h21-24,34-35H,5-20,25H2,1-4H3
IUPAC name chemrof:IUPAC_name 2,2'-methylenebis(4-methyl-6-nonylphenol)
Molecular formula chemrof:molecular_formula C33H52O2
Molecular mass chemrof:molecular_mass 480.777
Monoisotopic mass chemrof:monoisotopic_mass 480.396731
SMILES string chemrof:smiles_string CCCCCCCCCc1cc(C)cc(Cc2cc(C)cc(CCCCCCCCC)c2O)c1O

Known URLs

8

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=7786-17-6 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.029.174 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID9027657 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=111145 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/9B27R849AF enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J15.702C enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/24582 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27272295 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
943f9d1c-32b2-4fd5-9e2f-35ca00d7b67a Environmental → Air → Aircraft cruise height EF 3.1 kg 4
eb8ebec2-08bf-4acc-b0ae-84ad033e1133 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
60bab2b4-9d62-44e6-89c3-3a626a13c10d Environmental → Air → Indoor EF 3.1 kg 4
a4b4777e-a5fd-4392-83d3-3848ba809ed1 Environmental → Air → Long-term EF 3.1 kg 0
8710f8be-2bf3-40e4-914a-6df53f05d585 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
567350c7-c2a8-40ff-8f71-23b96d6d305c Environmental → Air → Unknown EF 3.1 kg 4
df34baec-b6f4-46e9-ba92-c2e862278633 Environmental → Ground → Agricultural EF 3.1 kg 4
b9c94973-cb4d-488e-b0c8-19da8f2405f6 Environmental → Ground → Non-agricultural EF 3.1 kg 4
e8bf1a8b-54fc-451f-9457-b0d1959c5edc Environmental → Ground → Unknown EF 3.1 kg 4
4d637533-b044-4389-8f1a-90305c23ebe5 Environmental → Water → Long-term EF 3.1 kg 0
2be76acf-ce15-40ae-bfe7-acc438107f41 Environmental → Water → Ocean EF 3.1 kg 4
9b8022e6-2604-4518-ae0e-71295e676807 Environmental → Water → Surface water EF 3.1 kg 4
7ff8ce4b-29a5-4128-aed4-6cb08874bb71 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-b94feeb3a82910d1",
  "prefLabel": [
    {
      "@value": "2,2'-methylenebis(4-methyl-6-nonylphenol)",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "2,2′-Methylenebis(4-methyl-6-nonylphenol)",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "CAS:7786-17-6",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=7786-17-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2,2′-Methylenebis(6-nonyl-p-cresol)",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=7786-17-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2,2′-Methylenebis[4-methyl-6-nonylphenol]",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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          "CAS:7786-17-6",
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          "https://commonchemistry.cas.org/detail?cas_rn=7786-17-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2,2′-Methylenebis[6-nonyl-4-methylphenol]",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Naugawhite",
      "@language": "en",
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        ],
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      }
    },
    {
      "@value": "Naugawhite Emulsion",
      "@language": "en",
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      }
    },
    {
      "@value": "Noclizer NS 90",
      "@language": "en",
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      "provenance": {
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    },
    {
      "@value": "p-Cresol, 2,2′-methylenebis[6-nonyl-",
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        ],
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    },
    {
      "@value": "Phenol, 2,2′-methylenebis[4-methyl-6-nonyl-",
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        },
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    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
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}

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