Consensus flow list

Identity

Type
Neutral molecule
CAS
18516-18-2
EC
242-393-3
Origin
EF 3.1 hybrid_name_cas_v1
Changes
53 across every transformer

Structure

Structure diagram for 3-hydroxy-2-(hydroxymethyl)-2-methylpropanal

Alternative labels

8

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string CBIFNLUPCWCNQT-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C5H10O3/c1-5(2-6,3-7)4-8/h2,7-8H,3-4H2,1H3
IUPAC name chemrof:IUPAC_name 3-hydroxy-2-(hydroxymethyl)-2-methylpropanal
Molecular formula chemrof:molecular_formula C5H10O3
Molecular mass chemrof:molecular_mass 118.132
Monoisotopic mass chemrof:monoisotopic_mass 118.062994
SMILES string chemrof:smiles_string CC(C=O)(CO)CO

Known URLs

7

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=18516-18-2 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.038.525 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID4066381 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/377M877SCT enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J222.230B enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/87688 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q81992979 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
6763a498-3436-4999-931b-daa8dc80ce60 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
b3beb557-3530-4668-abd5-0fe165755eb1 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
53fc9c2c-2d7d-43b2-b4ea-913524f3c9c6 Environmental → Air → Indoor EF 3.1 kg 4
79394a84-4dda-437d-8e45-85464d3821e2 Environmental → Air → Long-term EF 3.1 kg 0
bbffaa61-8de2-48c4-b32d-6caeb898cf1e Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
f1e5bdad-512f-4fb8-b4e2-c8ff90d4248d Environmental → Air → Unknown EF 3.1 kg 4
451d20e1-9300-448e-9382-6eee928b53c3 Environmental → Ground → Agricultural EF 3.1 kg 4
cce5c065-d47d-4932-ba0b-62643c4fee6d Environmental → Ground → Non-agricultural EF 3.1 kg 4
f690ef68-95f7-4c11-881b-5d396d8126c3 Environmental → Ground → Unknown EF 3.1 kg 4
700f5014-1e5b-47fc-a51a-b9d02bb2f98b Environmental → Water → Long-term EF 3.1 kg 0
6f02cbc8-93ae-41b5-ad82-79ef58e30ef6 Environmental → Water → Ocean EF 3.1 kg 4
133ad6f8-44d9-4ce4-aaf4-37145a07645b Environmental → Water → Surface water EF 3.1 kg 4
7b669ed5-f207-4457-818d-ca8e3e17e8f9 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (53 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-2dc7f0d69bd9c52d",
  "prefLabel": [
    {
      "@value": "3-hydroxy-2-(hydroxymethyl)-2-methylpropanal",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "2,2-Bis(hydroxymethyl)propanal",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "https://commonchemistry.cas.org/detail?cas_rn=18516-18-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2,2-Bis(hydroxymethyl)propionaldehyde",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2,2-Dihydroxymethylpropionaldehyde",
      "@language": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2,2-Dimethylolpropanal",
      "@language": "en",
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      }
    },
    {
      "@value": "2,2-Dimethylolpropionaldehyde",
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    },
    {
      "@value": "3-Hydroxy-2-hydroxymethyl-2-methylpropanal",
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    },
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    },
    {
      "@value": "Propionaldehyde, 2,2-bis(hydroxymethyl)-",
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}

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