Consensus flow list

Identity

Type
MolecularComplex
CAS
25791-96-2
EC
500-044-5
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for Alpha, Alpha’, Alpha’’-1,2,3-propanetriyltris[w-hydroxypoly(oxy-methyl-1,2-ethanediyl)]

This substance carries 3 candidate structures; the diagram is the first one RDKit could parse, not a settled answer.

Alternative labels

95

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string LGUKXHPIRLIAGC-UHFFFAOYSA-N, SSYNEHJVJMNYRQ-UHFFFAOYSA-N, ZSKSVMDBXFSLMZ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C12H26O9/c13-5-9(16)1-3-19-12(21-8-11(18)7-15)20-4-2-10(17)6-14/h9-18H,1-8H2, InChI=1S/C15H12BrFO3/c1-19-14-7-10(8-18)6-12(16)15(14)20-9-11-4-2-3-5-13(11)17/h2-8H,9H2,1H3, InChI=1S/C3H8O3.C3H8O2/c4-1-3(6)2-5;4-2-1-3-5/h3-6H,1-2H2;4-5H,1-3H2
IUPAC name chemrof:IUPAC_name 3-bromanyl-4-[(2-fluorophenyl)methoxy]-5-methoxy-benzaldehyde, 3-bromo-4-(2-fluorobenzyl)oxy-5-methoxy-benzaldehyde, 3-bromo-4-[(2-fluorophenyl)methoxy]-5-methoxy-benzaldehyde, 3-bromo-4-[(2-fluorophenyl)methoxy]-5-methoxybenzaldehyde, 4-[3,4-bis(oxidanyl)butoxy-[2,3-bis(oxidanyl)propoxy]methoxy]butane-1,2-diol, 4-[3,4-dihydroxybutoxy(2,3-dihydroxypropoxy)methoxy]butane-1,2-diol, 4-[3,4-dihydroxybutoxy(glyceryloxy)methoxy]butane-1,2-diol, glycerol;propane-1,3-diol, propane-1,3-diol;propane-1,2,3-triol
Molecular formula chemrof:molecular_formula C12H26O9, C15H12BrFO3, C6H16O5
SMILES string chemrof:smiles_string C(CO)CO.C(C(CO)O)O, C(COC(OCCC(CO)O)OCC(CO)O)C(CO)O, COC1=C(C(=CC(=C1)C=O)Br)OCC2=CC=CC=C2F

Known URLs

5

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=25791-96-2 enrich_references.consensus_cas_link
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/18179174 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/573381 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/73555652 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q72502547 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
55a5cf7c-a28d-4f84-8879-6c69654e5f54 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
51a86ec8-e5d8-41ce-a408-9549837b6737 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
87742aeb-b57f-4cb6-af63-8d670051d655 Environmental → Air → Indoor EF 3.1 kg 4
00294359-b3b5-4375-8063-4bcf2dca01ea Environmental → Air → Long-term EF 3.1 kg 0
2959ab56-c722-444c-838f-8e4731f1c8be Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
c3acf8d4-6d24-4c6c-831b-97e3001cd278 Environmental → Air → Unknown EF 3.1 kg 4
a1787482-3cc6-4c1e-b4d3-aae6ee99cbe0 Environmental → Ground → Agricultural EF 3.1 kg 4
1a7a47d1-3439-4b51-98d2-65f93baf3b51 Environmental → Ground → Non-agricultural EF 3.1 kg 4
2e9cc046-3ff4-40d1-b3ed-3e122b6a608b Environmental → Ground → Unknown EF 3.1 kg 4
b70dd146-0706-48fc-ba2d-1b83958b280d Environmental → Water → Long-term EF 3.1 kg 0
4e95a916-8b5c-43fd-a0b9-bcdb46523d54 Environmental → Water → Ocean EF 3.1 kg 4
8d0c6e47-a824-4ed3-8709-3a38841bce56 Environmental → Water → Surface water EF 3.1 kg 4
cc3bec26-1a0c-4f2a-ba04-732cf9a7ecd8 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON
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      "@value": "Ethox PGW",
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    {
      "@value": "Excenol EL 1030",
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      "@value": "Excenol EL 430",
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    {
      "@value": "Excenol EX 1030",
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    {
      "@value": "FX 31-240",
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    },
    {
      "@value": "Glycerin-initiated polypropylene glycol",
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      "provenance": {
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        ],
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      }
    },
    {
      "@value": "Glycerol poly(oxypropylene)triol",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Glycerol polyether with propylene oxide",
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      "provenance": {
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        ],
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    },
    {
      "@value": "Glycerol polypropylene glycol ether",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Glycerol polypropylene glycol ether (1:3)",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Glycerol tri(polyoxypropylene)ether",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Glycerol, ether with polypropylene glycol (1:3)",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Glycerol-initiated polypropylene glycol-polyethylene glycol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "https://commonchemistry.cas.org/detail?cas_rn=25791-96-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Glycerol-polypropylene glycol triether",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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          "https://commonchemistry.cas.org/detail?cas_rn=25791-96-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Glycerol-propylene oxide copolymer",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Glycerol-propylene oxide polyether triol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Glycerol-propylene oxide polymer",
      "@language": "en",
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      "provenance": {
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        ],
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      }
    },
    {
      "@value": "Glyceryl polypropylene glycol ether (1:3)",
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      "provenance": {
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      }
    },
    {
      "@value": "Glycols, polypropylene, 1,2,3-propanetriyl ether",
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      }
    },
    {
      "@value": "GP 3000NS",
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    },
    {
      "@value": "GP-MN 6000",
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      "@value": "Hyprox RT 266",
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      "@value": "Hyprox TG 300",
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    {
      "@value": "Jeffol FX 31-240",
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      "@value": "Jeffol G 30-167",
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      "@value": "Jeffol G 30-240",
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