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Sodium 2,4-dihyroxy-3,3-dimethylbutanoate

fo-de3f283ff62b3e26

Identity

Type
Chemical salt
CAS
1902-01-8
EC
606-203-6
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for Sodium 2,4-dihyroxy-3,3-dimethylbutanoate

Alternative labels

7

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string XTIMSSMEPPKSQD-UHFFFAOYSA-M
InChI2D string chemrof:inchi2d_string InChI=1S/C6H12O4.Na/c1-6(2,3-7)4(8)5(9)10;/h4,7-8H,3H2,1-2H3,(H,9,10);/q;+1/p-1
IUPAC name chemrof:IUPAC_name (±)-Pantoic acid sodium salt
Molecular formula chemrof:molecular_formula C6H11NaO4
Molecular mass chemrof:molecular_mass 170.14
Monoisotopic mass chemrof:monoisotopic_mass 170.055503
SMILES string chemrof:smiles_string CC(C)(CO)C(O)C(=O)[O-].[Na+]

Known URLs

6

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=1902-01-8 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.124.065 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID301334996 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J23.324B enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/23712041 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=017666 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
adda6c43-5c68-4731-afd7-0f0242567e1e Environmental → Air → Aircraft cruise height EF 3.1 kg 2
94a87436-3626-48cb-abc7-832fbfe08680 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
edf24b77-44bb-48a6-b28d-fcfcfbfd11a1 Environmental → Air → Indoor EF 3.1 kg 2
e9651f43-8347-4439-965e-50fb27f28dc6 Environmental → Air → Long-term EF 3.1 kg 0
cb8c4347-ac38-43f7-8f6e-ab14740b91ee Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
beac3fb6-1795-42b6-ae6f-7e9718c59d29 Environmental → Air → Unknown EF 3.1 kg 2
118f3f95-2ab6-4045-9e5f-4a613fe7cbed Environmental → Ground → Agricultural EF 3.1 kg 2
6970e986-b3a0-4583-ade9-40dba77c100d Environmental → Ground → Non-agricultural EF 3.1 kg 2
70bfa8db-6aff-4d35-83ef-691e543512fc Environmental → Ground → Unknown EF 3.1 kg 2
049acbaf-e66f-43e9-b800-7b9f01ca478c Environmental → Water → Long-term EF 3.1 kg 0
e9b2f924-c411-47e4-be56-3759e49a1152 Environmental → Water → Ocean EF 3.1 kg 2
070610cd-b6a5-4fd5-b878-24cd23cbb479 Environmental → Water → Surface water EF 3.1 kg 2
a50a9948-08c5-4e26-92ed-17bf1f25041d Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-de3f283ff62b3e26",
  "prefLabel": [
    {
      "@value": "Sodium 2,4-dihyroxy-3,3-dimethylbutanoate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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      }
    }
  ],
  "altLabel": [
    {
      "@value": "(±)-Pantoic acid sodium salt",
      "@language": "en",
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          "EF 3.1",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Butanoic acid, 2,4-dihydroxy-3,3-dimethyl-, monosodium salt",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Butanoic acid, 2,4-dihydroxy-3,3-dimethyl-, monosodium salt, (±)-",
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      }
    },
    {
      "@value": "Butanoic acid, 2,4-dihydroxy-3,3-dimethyl-, sodium salt (1:1)",
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    },
    {
      "@value": "Butyric acid, 2,4-dihydroxy-3,3-dimethyl-, monosodium salt, DL-",
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}

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