Sodium Hydrogen Di(acetate)

Acetic acid, sodium salt (2:1)
Acetic acid, sodium salt, compd. with acetic acid (1:1)
Dykon
Sodium acetate (1:2)
Sodium acid acetate
Sodium diacetate
Sodium hydrogen diacetate

Property	Value
InChI2D key string chemrof:inchi2d_key_string	BHZOKUMUHVTPBX-UHFFFAOYSA-M, OLFJVIXNILIZKF-UHFFFAOYSA-N, OPGYRRGJRBEUFK-UHFFFAOYSA-L
InChI2D string chemrof:inchi2d_string	InChI=1S/2C2H4O2.Na/c21-2(3)4;/h21H3,(H,3,4);/q;;+1/p-1
IUPAC name chemrof:IUPAC_name	Acetic acid, sodium salt (2:1)
Molecular formula chemrof:molecular_formula	C4H6Na2O4, C4H7NaO4, C4H8NaO4
SMILES string chemrof:smiles_string	CC(=O)O.CC(=O)[O-].[Na+]

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=126-96-5	enrich_references.consensus_cas_link
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID3034909	enrich_references.pubchem_identifier_url
femaflavor.org	https://www.femaflavor.org/flavor-library/sodium-diacetate	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/26WJH3CS0B	enrich_references.pubchem_identifier_url
HMDB	https://hmdb.ca/metabolites/HMDB0303659	enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov	https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C84154	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/22646212	enrich_references.pubchem_compound
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/23662384	enrich_references.pubchem_compound
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/87315833	enrich_references.pubchem_compound
wikidata.org	https://www.wikidata.org/wiki/Q409655	enrich_references.pubchem_identifier_url
Wikipedia	https://en.wikipedia.org/wiki/Sodium_diacetate	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
fee97001-8d06-48b0-924f-8348056d659e	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
181b4b1b-08f1-4fcf-ab3c-fcaa64e3d63d	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
2dbff3d2-7b31-49db-b7ce-f852943f6f5a	Environmental → Air → Indoor	EF 3.1	kg	2
10df0fd7-c76d-40f7-a643-5b7b6961e311	Environmental → Air → Long-term	EF 3.1	kg	0
5c191bc8-30a8-40b5-91a6-b36b224bde3a	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
9c89b078-3ba3-4cf9-888b-7a5b3a738b56	Environmental → Air → Unknown	EF 3.1	kg	2
728c1dd2-a10f-4630-acea-d0c74b6ff14e	Environmental → Ground → Agricultural	EF 3.1	kg	2
fefbf061-ae8c-4c5e-9cdb-89fd76749291	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
320d9500-1799-4ed2-8c3a-2ee67a8a6156	Environmental → Ground → Unknown	EF 3.1	kg	2
b082dbfa-c4e0-4740-8a91-99f275ff4a2b	Environmental → Water → Long-term	EF 3.1	kg	0
8c07e353-bca5-4a3b-a064-643ea1be5c9b	Environmental → Water → Ocean	EF 3.1	kg	2
33709b37-5a98-4488-b34e-7e149287775f	Environmental → Water → Surface water	EF 3.1	kg	2
b5167a12-14e9-4137-9b7a-05aba9491edf	Environmental → Water → Unknown	EF 3.1	kg	2

Everything that changed this substance (55 changes)

Open the changes page

Flow object JSON

{
  "flow_object_id": "fo-055cad72977cc954",
  "prefLabel": [
    {
      "@value": "Sodium Hydrogen Di(acetate)",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "Acetic acid, sodium salt (2:1)",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:126-96-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=126-96-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Acetic acid, sodium salt, compd. with acetic acid (1:1)",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:126-96-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=126-96-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Dykon",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:126-96-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=126-96-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Sodium acetate (1:2)",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:126-96-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=126-96-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Sodium acid acetate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:126-96-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=126-96-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Sodium diacetate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:126-96-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=126-96-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Sodium hydrogen diacetate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:126-96-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=126-96-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C4H6Na2O4",
        "C4H7NaO4",
        "C4H8NaO4"
      ],
      "attested_by": {
        "C4H6Na2O4": [
          "enrich_references.pubchem_semantic"
        ],
        "C4H7NaO4": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ],
        "C4H8NaO4": [
          "enrich_references.pubchem_semantic"
        ]
      },
      "rdfs:label": "Molecular formula",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:22646212",
            "CID:23662384",
            "CID:87315833"
          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC(=O)O.CC(=O)[O-].[Na+]"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "BHZOKUMUHVTPBX-UHFFFAOYSA-M",
        "OLFJVIXNILIZKF-UHFFFAOYSA-N",
        "OPGYRRGJRBEUFK-UHFFFAOYSA-L"
      ],
      "attested_by": {
        "BHZOKUMUHVTPBX-UHFFFAOYSA-M": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ],
        "OLFJVIXNILIZKF-UHFFFAOYSA-N": [
          "enrich_references.pubchem_semantic"
        ],
        "OPGYRRGJRBEUFK-UHFFFAOYSA-L": [
          "enrich_references.pubchem_semantic"
        ]
      },
      "rdfs:label": "InChIKey",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:22646212",
            "CID:23662384",
            "CID:87315833"
          ],
          "prov:wasDerivedFrom": "pubchem.props.InChIKey"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC(=O)O.CC(=O)[O-].[Na+]"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "CC(=O)O.CC(=O)[O-].[Na+]"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Acetic acid, sodium salt (2:1)"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC(=O)O.CC(=O)[O-].[Na+]"
          ]
        }
      ],
      "attested_by": {
        "CC(=O)O.CC(=O)[O-].[Na+]": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/2C2H4O2.Na/c2*1-2(3)4;/h2*1H3,(H,3,4);/q;;+1/p-1"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Acetic acid, sodium salt (2:1)"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC(=O)O.CC(=O)[O-].[Na+]"
          ]
        }
      ],
      "attested_by": {
        "InChI=1S/2C2H4O2.Na/c2*1-2(3)4;/h2*1H3,(H,3,4);/q;;+1/p-1": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
        "Acetic acid, sodium salt (2:1)"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "opsin_iupac",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "Acetic acid, sodium salt (2:1)"
        ]
      },
      "attested_by": {
        "Acetic acid, sodium salt (2:1)": [
          "opsin_iupac"
        ]
      }
    }
  },
  "references": [
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=126-96-5",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "126-96-5"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID3034909",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:23662384;CAS:126-96-5"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[126-96-5]"
      }
    },
    {
      "@id": "https://en.wikipedia.org/wiki/Sodium_diacetate",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:23662384;CAS:126-96-5"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[126-96-5]"
      }
    },
    {
      "@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/26WJH3CS0B",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:23662384;CAS:126-96-5"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[126-96-5]"
      }
    },
    {
      "@id": "https://hmdb.ca/metabolites/HMDB0303659",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:23662384;CAS:126-96-5"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[126-96-5]"
      }
    },
    {
      "@id": "https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C84154",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:23662384;CAS:126-96-5"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[126-96-5]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/22646212",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:22646212;CAS:126-96-5"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[126-96-5]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/23662384",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:23662384;CAS:126-96-5"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[126-96-5]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/87315833",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:87315833;CAS:126-96-5"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[126-96-5]"
      }
    },
    {
      "@id": "https://www.femaflavor.org/flavor-library/sodium-diacetate",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:23662384;CAS:126-96-5"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[126-96-5]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q409655",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:23662384;CAS:126-96-5"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[126-96-5]"
      }
    }
  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "10df0fd7-c76d-40f7-a643-5b7b6961e311",
    "seed_source": "EF 3.1",
    "semantic_typing": {
      "rule": "multi_component_ionic",
      "reason": "",
      "types": [
        "https://w3id.org/chemrof/ChemicalSalt"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "semantic_typing.classify",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:wasDerivedFrom": "semantic_typing.rule.multi_component_ionic"
      }
    }
  },
  "classifications": {
    "http://semanticscience.org/resource/CHEMINF_000446": {
      "@value": [
        "126-96-5"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=126-96-5"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=126-96-5"
        }
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    "http://semanticscience.org/resource/CHEMINF_000447": {
      "@value": [
        "204-814-9"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=204-814-9"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "ec_numbers"
      }
    }
  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/ChemicalSalt"
  ]
}

Sodium Hydrogen Di(acetate)

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

History

Full record

Keyboard