Consensus flow list

Identity

Type
Neutral molecule
CAS
13595-25-0
EC
428-970-4
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 4,4'-(1,3-phenylene-bis(1-methylethylidene))bisphenol

Alternative labels

14

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string PVFQHGDIOXNKIC-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C24H26O2/c1-23(2,17-8-12-21(25)13-9-17)19-6-5-7-20(16-19)24(3,4)18-10-14-22(26)15-11-18/h5-16,25-26H,1-4H3
IUPAC name chemrof:IUPAC_name 1,3-Bis(4-hydroxycumyl)benzene
Molecular formula chemrof:molecular_formula C24H26O2
Molecular mass chemrof:molecular_mass 346.47
Monoisotopic mass chemrof:monoisotopic_mass 346.19328
SMILES string chemrof:smiles_string CC(C)(c1ccc(O)cc1)c1cccc(C(C)(C)c2ccc(O)cc2)c1

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=13595-25-0 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.132.710 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID7065548 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL5920312 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/P9VL9VLK8V enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J105.959I enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/3292100 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q65643372 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
ffa7542a-917f-4b71-8776-1b57ec280171 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
27ba10da-d3f2-484f-bf26-24e029a92be7 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
a9c40663-9c32-45b6-a813-4df674d89e98 Environmental → Air → Indoor EF 3.1 kg 4
f6646930-758c-4866-8f52-1c4d1568373b Environmental → Air → Long-term EF 3.1 kg 0
0fe0f449-ac15-48c9-95e6-f1680734e3d5 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
96fb4a63-1f48-40b0-ba7e-3811801f8f40 Environmental → Air → Unknown EF 3.1 kg 4
e777cb12-c38e-4161-86a9-b603a8351c58 Environmental → Ground → Agricultural EF 3.1 kg 4
3e6ad523-0533-48a5-8217-31f642bef5dd Environmental → Ground → Non-agricultural EF 3.1 kg 4
5c2cf2e5-b719-41fe-8aef-506e8e0a2c07 Environmental → Ground → Unknown EF 3.1 kg 4
43ec4d51-72b4-4d44-8ee2-c2d03cc8825c Environmental → Water → Long-term EF 3.1 kg 0
9dc6c3a1-7dd2-49c4-aedc-177cea1199e1 Environmental → Water → Ocean EF 3.1 kg 4
3cb183c1-fdf4-49cf-b14b-0bf087aef73a Environmental → Water → Surface water EF 3.1 kg 4
73e474a1-315b-4d4c-9321-f49c0d356c3d 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-0d465cb9ce09970c",
  "prefLabel": [
    {
      "@value": "4,4'-(1,3-phenylene-bis(1-methylethylidene))bisphenol",
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      "@value": "4,4′-(1,3-Phenylenediisopropylidene)bisphenol",
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    },
    {
      "@value": "4,4′-(m-Phenylenediisopropylidene)diphenol",
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      "@value": "4,4′-[1,3-Phenylenebis(1-methylethylidene)]bis[phenol]",
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  "properties": {
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        "https://w3id.org/chemrof/NeutralMolecule"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "semantic_typing.classify",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:wasDerivedFrom": "semantic_typing.rule.neutral_molecule"
      }
    }
  },
  "classifications": {
    "http://semanticscience.org/resource/CHEMINF_000446": {
      "@value": [
        "13595-25-0"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=13595-25-0"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=13595-25-0"
        }
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    "http://semanticscience.org/resource/CHEMINF_000447": {
      "@value": [
        "428-970-4"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=428-970-4"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "ec_numbers"
      }
    }
  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

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