Consensus flow list

Identity

Type
Neutral molecule
CAS
301-11-1
EC
206-109-1
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for 2-thiocyanatoethyl Laurate

Alternative labels

8

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string DXTLBEQSVNRVKT-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C15H27NO2S/c1-2-3-4-5-6-7-8-9-10-11-15(17)18-12-13-19-14-16/h2-13H2,1H3
IUPAC name chemrof:IUPAC_name 2-thiocyanatoethyl Laurate
Molecular formula chemrof:molecular_formula C15H27NO2S
Molecular mass chemrof:molecular_mass 285.453
Monoisotopic mass chemrof:monoisotopic_mass 285.17625
SMILES string chemrof:smiles_string CCCCCCCCCCCC(=O)OCCSC#N

Known URLs

9

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=301-11-1 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.005.555 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID8041456 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=403654 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/97ASW478C9 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J5.477A enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/9319 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=018418 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q27271999 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
95025e89-a615-4b70-8191-5b58e6c83371 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
552b3b8d-5ebf-4478-b0be-c9fd4b384f05 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
d15355d1-4ce9-4ece-951b-b7b0ccef6cac Environmental → Air → Indoor EF 3.1 kg 2
e18ac452-6425-4825-a00e-b775af54805a Environmental → Air → Long-term EF 3.1 kg 0
f7726725-38a5-473f-b8ac-c0392d7f510c Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
dca65e0e-fbce-463c-baaa-71fff7145313 Environmental → Air → Unknown EF 3.1 kg 2
5bcce02c-0750-4d78-8057-1b8a28f732c3 Environmental → Ground → Agricultural EF 3.1 kg 2
c8a668f8-71fc-4a00-9b7b-3b2713813e5e Environmental → Ground → Non-agricultural EF 3.1 kg 2
8b8933b3-0dd7-495f-a626-d548ec3cadf3 Environmental → Ground → Unknown EF 3.1 kg 2
d0cea8b0-11f8-4f23-a296-3ac02421cafd Environmental → Water → Long-term EF 3.1 kg 0
a23be971-b063-4b94-acf3-c5d6b71c1a80 Environmental → Water → Ocean EF 3.1 kg 2
289934c2-79b7-4c1d-b6e6-80b1d1fe1e0e Environmental → Water → Surface water EF 3.1 kg 2
87d0a462-2c6d-40d2-90ef-b1df4b038097 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-a71f68dcd478fcd4",
  "prefLabel": [
    {
      "@value": "2-thiocyanatoethyl Laurate",
      "@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": "2-Thiocyanoethyl dodecanoate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:301-11-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=301-11-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Thiocyanoethyl laurate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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        "prov:hadPrimarySource": [
          "CAS:301-11-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=301-11-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Dodecanoic acid, 2-thiocyanatoethyl ester",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "https://commonchemistry.cas.org/detail?cas_rn=301-11-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Lauric acid, 2-thiocyanatoethyl ester",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Lauric acid, 2-thiocyanoethyl ester",
      "@language": "en",
      "@lang": "en",
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        ],
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      }
    },
    {
      "@value": "Lethane 60",
      "@language": "en",
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      "provenance": {
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        ],
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      }
    },
    {
      "@value": "Thiocyanic acid, 2-hydroxyethyl ester, laurate",
      "@language": "en",
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    },
    {
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}

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