Consensus flow list

Identity

Type
Neutral molecule
CAS
77-99-6
EC
201-074-9
Origin
EF 3.1 hybrid_name_cas_v1
Changes
59 across every transformer

Structure

Structure diagram for Trimethylolpropane

Alternative labels

21

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string ZJCCRDAZUWHFQH-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C6H14O3/c1-2-6(3-7,4-8)5-9/h7-9H,2-5H2,1H3
IUPAC name chemrof:IUPAC_name Trimethylolpropane
Molecular formula chemrof:molecular_formula C6H14O3
Molecular mass chemrof:molecular_mass 134.175
Monoisotopic mass chemrof:monoisotopic_mass 134.09429, 134.094294
SMILES string chemrof:smiles_string CCC(CO)(CO)CO

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=187041-27-6 enrich_references.pubchem_identifier_url
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=77-99-6 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:183310 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.000.978 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0366 enrich_references.pubchem_identifier_url
ChemSpider https://www.chemspider.com/Chemical-Structure.6264.html enrich_references.chebi_xrefs
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID2026448 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=3576 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3185136 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/090GDF4HBD enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0259243 enrich_references.pubchem_identifier_url
hts.usitc.gov https://hts.usitc.gov/search?query=2905.41.00.00 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J35.936J enrich_references.pubchem_identifier_url
pdb-ccd pdb-ccd:9D2 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/6510 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q161270 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Trimethylolpropane enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
7d198a80-26f5-47ab-a2f8-e090583f5526 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
1f291d82-6fc4-49e5-a6fc-37f8592b508e Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
9068808c-4f66-4c00-b1ad-23add700581a Environmental → Air → Indoor EF 3.1 kg 4
a1367f55-1fba-4e9e-b3bb-e52a5804c6bb Environmental → Air → Long-term EF 3.1 kg 0
38862eb4-a1a6-4e41-a6d4-6ecb326c961d Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
a831611b-d30b-4136-8d77-4823e8fa05e6 Environmental → Air → Unknown EF 3.1 kg 4
1f42ba01-b1cd-4f34-8cb2-7c302e94b5ec Environmental → Ground → Agricultural EF 3.1 kg 4
d4c1218c-0f2c-4f67-9b8c-b5753801d338 Environmental → Ground → Non-agricultural EF 3.1 kg 4
93cb4df9-9358-4e0d-87eb-da4546b8d3e4 Environmental → Ground → Unknown EF 3.1 kg 4
3a75dab4-fe02-4753-a15e-c622aca7269a Environmental → Water → Long-term EF 3.1 kg 0
535a6180-5070-4d74-8577-bee1200b8d7e Environmental → Water → Ocean EF 3.1 kg 4
cfaf4484-3794-433b-929d-5535a477afe9 Environmental → Water → Surface water EF 3.1 kg 4
6c62366d-8a94-48f0-bb43-488857aba76d Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (59 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-a93c4e437adf6171",
  "prefLabel": [
    {
      "@value": "Trimethylolpropane",
      "@language": "en",
      "@lang": "en",
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        "prov:wasDerivedFrom": "Common Chemistry / ChEBI primary name agreement"
      }
    }
  ],
  "altLabel": [
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      "@value": "1,1,1-Tri(hydroxymethyl)propane",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1,1,1-Trimethylolpropane",
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      }
    },
    {
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      }
    },
    {
      "@value": "1,3-Propanediol, 2-ethyl-2-(hydroxymethyl)-",
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      }
    },
    {
      "@value": "2,2-Bis(hydroxymethyl)-1-butanol",
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    },
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      "@value": "2,2-Bis(hydroxymethyl)butanol",
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      }
    },
    {
      "@value": "2-(Hydroxymethyl)-2-ethyl-1,3-propanediol",
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    },
    {
      "@value": "2-Ethyl-2-(hydroxymethyl)-1,3-propanediol",
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    },
    {
      "@value": "2-ethyl-2-(hydroxymethyl)propane-1,3-diol",
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      "@value": "2-Ethyl-2-(hydroxymethyl)propanediol",
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    },
    {
      "@value": "2-Ethyl-2-hydroxymethyl-1,3-propandiol",
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    {
      "@value": "9U02",
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    },
    {
      "@value": "Addolink TR",
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      }
    },
    {
      "@value": "Ethriol",
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    },
    {
      "@value": "Ethyltrimethylolmethane",
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    },
    {
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      }
    },
    {
      "@value": "Propane, 1,1,1-tris(hydroxymethyl)-",
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      }
    },
    {
      "@value": "Propylidynetrimethanol",
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    },
    {
      "@value": "RC Crosslinker TR",
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    },
    {
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    {
      "@value": "Tris(hydroxymethyl)propane",
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