Consensus flow list

Identity

Type
Chemical salt
CAS
27253-29-8
EC
248-370-4
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for Neodecanoic Acid, Zinc Salt

Alternative labels

12

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string JUODUXKPGONLIM-UHFFFAOYSA-L, LFOXXKXKYHIANI-UHFFFAOYSA-L, VADFQXONMAETJP-UHFFFAOYSA-N, VNTDZUDTQCZFKN-UHFFFAOYSA-L
InChI2D string chemrof:inchi2d_string InChI=1S/2C10H20O2.Zn/c2*1-10(2,3)8-6-4-5-7-9(11)12;/h2*4-8H2,1-3H3,(H,11,12);/q;;+2/p-2
IUPAC name chemrof:IUPAC_name Zinc bis(neodecanoate)
Molecular formula chemrof:molecular_formula C20H38O4Zn, C20H40O4Zn
SMILES string chemrof:smiles_string CC(C)(C)CCCCCC(=O)[O-].CC(C)(C)CCCCCC(=O)[O-].[Zn+2]

Known URLs

10

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=27253-29-8 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.043.959 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/VPR8224Z3T enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.835.404E enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/101505005 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/117064711 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/117959 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/161242035 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q126600586 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q27291959 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
298199db-4750-484f-b074-be606b3a8e75 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
b5df131a-1a17-4647-b15a-1bb148b9f398 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
99cf0fb7-84ea-40f5-b9ff-9bd20fdbcf4c Environmental → Air → Indoor EF 3.1 kg 4
0d5036bf-2244-4100-9ad0-f1e9d8568c88 Environmental → Air → Long-term EF 3.1 kg 0
fdb1bdc4-4159-4509-9d3f-ad2e4cc45f9d Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
ce24438d-e908-455a-b990-487b921b2f79 Environmental → Air → Unknown EF 3.1 kg 4
ca5a634e-2e07-4802-9f34-b13aabfee94f Environmental → Ground → Agricultural EF 3.1 kg 4
940c19b0-7f23-441c-8924-1c91ccd7a8be Environmental → Ground → Non-agricultural EF 3.1 kg 4
8215525d-5037-4501-b15e-d096eef3d7b7 Environmental → Ground → Unknown EF 3.1 kg 4
3e5f87a3-626b-4926-b7b2-7f31d6e7e51c Environmental → Water → Long-term EF 3.1 kg 0
eeb138a0-0c30-428b-85ba-6ae5ed953ab7 Environmental → Water → Ocean EF 3.1 kg 4
703e760d-341a-47fb-8efa-a3bcda2da3d8 Environmental → Water → Surface water EF 3.1 kg 4
c8a792b3-0351-4a65-bbef-e4b589d50c53 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
{
  "flow_object_id": "fo-b154a1562017b5cd",
  "prefLabel": [
    {
      "@value": "Neodecanoic Acid, Zinc Salt",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "Bicat Z",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Bicat ZM",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Borchi Kat 15",
      "@language": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "DriCAT 3020",
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    },
    {
      "@value": "Neodecanoic acid, zinc salt (2:1)",
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    },
    {
      "@value": "Reaxis C 616",
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      }
    },
    {
      "@value": "TIB KAT 616",
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    },
    {
      "@value": "Valikat ZN 1910",
      "@language": "en",
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    },
    {
      "@value": "Zinc bis(neodecanoate)",
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    },
    {
      "@value": "Zinc neodecanoate",
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    },
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      "@value": "Zinc Ten-Cem",
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    },
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}

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