Consensus flow list

Identity

Type
ChemicalSalt
CAS
28629-66-5
EC
249-109-7
Origin
EF 3.1 hybrid_name_cas_v1
Changes
59 across every transformer

Structure

Structure diagram for Zinc bis(O,O-diisooctyl) Bis(dithiophosphate)

Alternative labels

8

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string SXYOAESUCSYJNZ-UHFFFAOYSA-L
InChI2D string chemrof:inchi2d_string InChI=1S/2C16H35O2PS2.Zn/c2*1-15(2)11-7-5-9-13-17-19(20,21)18-14-10-6-8-12-16(3)4;/h2*15-16H,5-14H2,1-4H3,(H,20,21);/q;;+2/p-2
IUPAC name chemrof:IUPAC_name zinc bis(bis(6-methylheptoxy)-sulfanidyl-sulfanylidene-lambda5-phosphane), zinc bis(bis(6-methylheptoxy)-sulfanylidene-sulfido-lambda5-phosphane), zinc bis(bis(6-methylheptoxy)-sulfanylidene-sulfidophosphorane), zinc bis(bis(6-methylheptoxy)-sulfido-thioxo-lambda5-phosphane), zinc bis(bis(6-methylheptoxy)-sulfido-thioxo-phosphorane)
Molecular formula chemrof:molecular_formula C32H68O4P2S4Zn
Molecular mass chemrof:molecular_mass 772.498
Monoisotopic mass chemrof:monoisotopic_mass 770.27671
SMILES string chemrof:smiles_string CC(C)CCCCCOP(=S)(OCCCCCC(C)C)[S-].CC(C)CCCCCOP(=S)(OCCCCCC(C)C)[S-].[Zn+2]

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=28629-66-5 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.044.630 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID20891179 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/481S5GBI4N enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/22494421 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27259093 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
241e892c-e695-4ad8-a9d8-c887a066be10 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
6265d544-7935-4877-abce-248e66fbd994 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
536c8676-d995-4b3c-9105-ddc8189843c1 Environmental → Air → Indoor EF 3.1 kg 4
32768399-dd09-432a-86cd-eef3fbb6c649 Environmental → Air → Long-term EF 3.1 kg 0
0baf8bae-63d4-4d53-a7ea-ee4ec36734d1 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
15e9e867-653e-4e3d-936a-49f2a810d1cd Environmental → Air → Unknown EF 3.1 kg 4
bf9d329c-92b0-428c-a2fc-16b127e044be Environmental → Ground → Agricultural EF 3.1 kg 4
9df01cca-02e8-4eb0-9632-9d4749bab5e2 Environmental → Ground → Non-agricultural EF 3.1 kg 4
e68d2a36-f9f1-4d43-bfa9-c0f8ed5dda3b Environmental → Ground → Unknown EF 3.1 kg 4
004e68fa-f635-432f-894a-bd0e678a3267 Environmental → Water → Long-term EF 3.1 kg 0
3005e97d-46f9-44c2-973a-0f4f8d269514 Environmental → Water → Ocean EF 3.1 kg 4
5b098fd7-c557-46a5-9b49-5daaf0df470d Environmental → Water → Surface water EF 3.1 kg 4
e8a00d8b-e0eb-4eb5-9a16-f505d9c76f07 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-a2155d4478ab7217",
  "prefLabel": [
    {
      "@value": "Zinc bis(O,O-diisooctyl) Bis(dithiophosphate)",
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        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "Bis(O,O-diisooctyl phosphorodithioato-κS,κS′)zinc",
      "@language": "en",
      "@lang": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Phosphorodithioic acid, O,O-diisooctyl ester, zinc complex",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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    },
    {
      "@value": "Phosphorodithioic acid, O,O-diisooctyl ester, zinc salt",
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    },
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      "@value": "Zinc bis(diisooctyl dithiophosphate)",
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    },
    {
      "@value": "Zinc bis(O,O-diisooctylphosphorodithioate-S,S′)",
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      "@value": "Zinc diisooctyl dithiophosphate",
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      "@value": "Zinc, bis(O,O-diisooctyl phosphorodithioato-S,S′)-",
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}

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