Consensus flow list

Identity

Type
Neutral molecule
CAS
19329-89-6
EC
242-966-8
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for Isopentyl Lactate

Alternative labels

7

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string CRORGGSWAKIXSA-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C8H16O3/c1-6(2)4-5-11-8(10)7(3)9/h6-7,9H,4-5H2,1-3H3
IUPAC name chemrof:IUPAC_name Isopentyl Lactate
Molecular formula chemrof:molecular_formula C8H16O3
Molecular mass chemrof:molecular_mass 160.213
Monoisotopic mass chemrof:monoisotopic_mass 160.10994, 160.109944
SMILES string chemrof:smiles_string CC(C)CCOC(=O)C(C)O

Known URLs

12

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=19329-89-6 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:87534 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.039.045 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID00858801 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/DR4JQR9E0V enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0059825 enrich_references.chebi_xrefs
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J150.808C enrich_references.pubchem_identifier_url
patent patent:WO2011144273 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/86851 enrich_references.pubchem_compound
PubMed https://pubmed.ncbi.nlm.nih.gov/24830411 enrich_references.chebi_xrefs
reaxys reaxys:1703537 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q27159707 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
50400d75-9a5c-4d6f-8e2b-cc011b82ab01 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
7d0bdcb4-6702-4d11-8f8e-151d269fe478 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
2e2f3c1b-21c7-4eea-aa59-707b9731d966 Environmental → Air → Indoor EF 3.1 kg 2
9ddcfea4-c481-4c2e-9132-354e4cf8d809 Environmental → Air → Long-term EF 3.1 kg 0
96537971-ef94-4f87-85b4-13dab7c841b4 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
799752af-89b8-47dc-93b4-9e3dd1d5951c Environmental → Air → Unknown EF 3.1 kg 2
6b87ae5e-98ad-45a1-9b22-4bcff6efd28c Environmental → Ground → Agricultural EF 3.1 kg 2
35b97ce0-4a4d-4c0a-abd4-bd15c3388f8b Environmental → Ground → Non-agricultural EF 3.1 kg 2
9b153081-a11b-4db2-af59-bdcd7f96c5b4 Environmental → Ground → Unknown EF 3.1 kg 2
99fe1a51-ec9a-41ff-8460-5364fa4935bc Environmental → Water → Long-term EF 3.1 kg 0
9044cc1f-1a74-4815-a0b8-0e301ee33a15 Environmental → Water → Ocean EF 3.1 kg 2
4147450c-4d47-43af-8323-b59f4d0f0078 Environmental → Water → Surface water EF 3.1 kg 2
36ee6188-028c-4f4b-98eb-eac14ee5a11b 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
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        "242-966-8"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=242-966-8"
      ],
      "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,
  "http://www.w3.org/2004/02/skos/core#definition": [
    {
      "@value": "A carboxylic ester obtained by the formal condensation of the carboxy group of 2-hydroxypropanoic acid  with the hydroxy group of isoamylol.",
      "@language": "en",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.chebi_definition",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "http://purl.obolibrary.org/obo/CHEBI_87534"
        ],
        "prov:wasDerivedFrom": "chebi.definition"
      }
    }
  ],
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

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