Consensus flow list

Identity

Type
NeutralMolecule
CAS
116-37-0
EC
204-137-9
Origin
EF 3.1 hybrid_name_cas_v1
Changes
57 across every transformer

Structure

Structure diagram for Bisphenol A bis(2-hydroxypropyl) ether

Alternative labels

21

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string MIUUNYUUEFHIHM-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C21H28O4/c1-15(22)13-24-19-9-5-17(6-10-19)21(3,4)18-7-11-20(12-8-18)25-14-16(2)23/h5-12,15-16,22-23H,13-14H2,1-4H3
IUPAC name chemrof:IUPAC_name Bisphenol A bis(2-hydroxypropyl) ether
Molecular formula chemrof:molecular_formula C21H28O4
Molecular mass chemrof:molecular_mass 344.451
Monoisotopic mass chemrof:monoisotopic_mass 344.198759, 344.19876
SMILES string chemrof:smiles_string CC(O)COc1ccc(C(C)(C)c2ccc(OCC(C)O)cc2)cc1

Known URLs

13

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=116-37-0 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=37353-75-6 enrich_references.pubchem_identifier_url
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:79721 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.003.762 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID8051592 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=408494 enrich_references.pubchem_identifier_url
glycosmos.org https://glycosmos.org/glycans/show/G73632YE enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/S5K2510L3D enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J39.711C enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C15208 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C15208 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/8306 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27148853 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
5f724917-5e90-4a78-819c-70c52db3828f Environmental → Air → Aircraft cruise height EF 3.1 kg 4
a8418ed5-8e2c-4551-9288-9210f710f592 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
f709dbec-91d6-4f08-a71c-85a20f2d7864 Environmental → Air → Indoor EF 3.1 kg 4
7fdc8674-91b3-408b-bfe7-96b1f8cc5e5d Environmental → Air → Long-term EF 3.1 kg 0
ca3be4c0-1621-4b8e-98e4-3b13e9c5d535 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
980f360e-3020-4eaf-b414-9e6d4573da75 Environmental → Air → Unknown EF 3.1 kg 4
189591c8-b58e-41b0-ad04-c60c0b26189e Environmental → Ground → Agricultural EF 3.1 kg 4
a5764b48-1206-4a69-961b-9244fd304753 Environmental → Ground → Non-agricultural EF 3.1 kg 4
ab9b3c52-194e-42d4-88cf-e48a2dd5b627 Environmental → Ground → Unknown EF 3.1 kg 4
b2b23464-c5e8-4c86-8cb9-0c510866eaf5 Environmental → Water → Long-term EF 3.1 kg 0
5d1a94b3-8e5d-4d20-bf4b-b92b6809661b Environmental → Water → Ocean EF 3.1 kg 4
64081b68-751f-4239-a209-e12c40a83f11 Environmental → Water → Surface water EF 3.1 kg 4
d7ace58d-5a45-4efe-a00d-4f5d1bc397b8 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (57 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-e017edfb77f4a27f",
  "prefLabel": [
    {
      "@value": "Bisphenol A bis(2-hydroxypropyl) ether",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "CAS:116-37-0",
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "Common Chemistry / ChEBI primary name agreement"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1,1'-[propane-2,2-diylbis(4,1-phenyleneoxy)]dipropan-2-ol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "original name retained as altLabel"
      }
    },
    {
      "@value": "1,1′-[(1-Methylethylidene)bis(4,1-phenyleneoxy)]bis[2-propanol]",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1,1′-[Isopropylidenebis(p-phenyleneoxy)]di-2-propanol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1,1′-Isopropylidenebis[4-(2-hydroxypropoxy)benzene]",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2,2-Bis[4-(2-hydroxy-2-methylethoxy)phenyl]propane",
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    },
    {
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    },
    {
      "@value": "2,2-Bis[p-(2-hydroxy-2-methylethoxy)phenyl]propane",
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    },
    {
      "@value": "2,2-Bis[p-(2-hydroxypropoxy)phenyl]propane",
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    },
    {
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    },
    {
      "@value": "2-Propanol, 1,1′-[(1-methylethylidene)bis(4,1-phenyleneoxy)]bis-",
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        ],
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      }
    },
    {
      "@value": "2-Propanol, 1,1′-[isopropylidenebis(p-phenyleneoxy)]di-",
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      "@lang": "en",
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      }
    },
    {
      "@value": "BA-P 2",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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      }
    },
    {
      "@value": "BA-P 2 Glycol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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      }
    },
    {
      "@value": "Bisphenol A bis(β-hydroxypropyl) ether",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Bisphenol A propoxylate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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      }
    },
    {
      "@value": "Bisphenol A-propylene oxide adduct (1:2)",
      "@language": "en",
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      "provenance": {
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          "https://commonchemistry.cas.org/detail?cas_rn=116-37-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Dianol 33",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "https://commonchemistry.cas.org/detail?cas_rn=116-37-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Himer BP 2P",
      "@language": "en",
      "@lang": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Isopropylidenediphenoxypropanol",
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    },
    {
      "@value": "Newcol BA-P 2",
      "@language": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Propoxylated bisphenol A 2 mole adduct",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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  ],
  "properties": {
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