Consensus flow list

Identity

Type
Neutral molecule
CAS
2499-95-8
EC
219-698-5
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for Hexyl Acrylate

Alternative labels

4

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string LNMQRPPRQDGUDR-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C9H16O2/c1-3-5-6-7-8-11-9(10)4-2/h4H,2-3,5-8H2,1H3
IUPAC name chemrof:IUPAC_name Hexyl Acrylate
Molecular formula chemrof:molecular_formula C9H16O2
Molecular mass chemrof:molecular_mass 156.225
Monoisotopic mass chemrof:monoisotopic_mass 156.11503
SMILES string chemrof:smiles_string C=CC(=O)OCCCCCC

Known URLs

13

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=2499-95-8 enrich_references.consensus_cas_link
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=27103-47-5 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.017.908 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=1288 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID5022194 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=11786 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3561313 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/X0670P452A enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0253165 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J33.800A enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/17259 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#3082 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q27293153 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
580df642-e2d4-40f8-b75c-c541780cee7d Environmental → Air → Aircraft cruise height EF 3.1 kg 2
b7a6c725-13d3-4395-85b3-2982a8d0514d Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
12b56a04-cf0b-4ef5-bc4c-69142bec6b99 Environmental → Air → Indoor EF 3.1 kg 2
12886487-113a-4972-af79-7f35d1aa571f Environmental → Air → Long-term EF 3.1 kg 0
ce92d261-a1bc-4ec9-b4fd-94e33f7360f3 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
7ccd1b95-d740-44c0-91d4-e04f58b379e5 Environmental → Air → Unknown EF 3.1 kg 2
99fc3bd3-d38b-41e7-97a1-65ea2f31498b Environmental → Ground → Agricultural EF 3.1 kg 2
b1959e59-4564-44be-9296-17343c673e29 Environmental → Ground → Non-agricultural EF 3.1 kg 2
34acb9f2-e13e-455f-889c-2928c9fedb22 Environmental → Ground → Unknown EF 3.1 kg 2
1fd99d7d-6786-4d93-8672-70574f5a5848 Environmental → Water → Long-term EF 3.1 kg 0
e14ac19f-bf91-4bce-8246-0828942c69d1 Environmental → Water → Ocean EF 3.1 kg 2
3266bf4d-a3b6-4815-a3e6-7400bb00f738 Environmental → Water → Surface water EF 3.1 kg 2
eae65c6c-2562-435a-8783-3e6720c9d1f3 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-8c2ee3422d4bc50a",
  "prefLabel": [
    {
      "@value": "Hexyl Acrylate",
      "@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-Propenoic acid, hexyl ester",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:2499-95-8",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=2499-95-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Acrylic acid, hexyl ester",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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          "https://commonchemistry.cas.org/detail?cas_rn=2499-95-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Hexyl 2-propenoate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "n-Hexyl acrylate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
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  "properties": {
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      "attested_by": {
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    "https://w3id.org/chemrof/monoisotopic_mass": {
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}

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