Consensus flow list

Identity

Type
Neutral molecule
CAS
138-22-7
EC
205-316-4
Origin
EF 3.1 hybrid_name_cas_v1
Changes
59 across every transformer

Structure

Structure diagram for Butyl lactate

Alternative labels

12

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string MRABAEUHTLLEML-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C7H14O3/c1-3-4-5-10-7(9)6(2)8/h6,8H,3-5H2,1-2H3
IUPAC name chemrof:IUPAC_name Butyl lactate
Molecular formula chemrof:molecular_formula C7H14O3
Molecular mass chemrof:molecular_mass 146.186
Monoisotopic mass chemrof:monoisotopic_mass 146.09429, 146.094294
SMILES string chemrof:smiles_string CCCCOC(=O)C(C)O

Known URLs

18

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=138-22-7 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=475096-62-9 enrich_references.pubchem_identifier_url
cdc.gov https://www.cdc.gov/niosh-rtecs/OD3D6AA8.html enrich_references.pubchem_identifier_url
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:169137 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.004.834 enrich_references.pubchem_identifier_url
ChemSpider https://www.chemspider.com/Chemical-Structure.8409.html enrich_references.chebi_xrefs
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID7042196 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=6533 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3183988 enrich_references.pubchem_identifier_url
femaflavor.org https://www.femaflavor.org/flavor-library/butyl-lactate enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/0UI63W814U enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0040254 enrich_references.chebi_xrefs
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J39.933G enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=48942 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/8738 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#1993 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q11370588 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/N-Butyl_lactate enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
d6f8f010-7341-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
041fab10-6556-11dd-ad8b-0800200c9a66 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
ea3e75db-2578-488b-8241-bb4937cdafac Environmental → Air → Indoor EF 3.1 kg 2
041fab09-6556-11dd-ad8b-0800200c9a66 Environmental → Air → Long-term EF 3.1 kg 0
041fab0d-6556-11dd-ad8b-0800200c9a66 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
041fab08-6556-11dd-ad8b-0800200c9a66 Environmental → Air → Unknown EF 3.1 kg 2
041fab0b-6556-11dd-ad8b-0800200c9a66 Environmental → Ground → Agricultural EF 3.1 kg 2
041fab0c-6556-11dd-ad8b-0800200c9a66 Environmental → Ground → Non-agricultural EF 3.1 kg 2
041fab0f-6556-11dd-ad8b-0800200c9a66 Environmental → Ground → Unknown EF 3.1 kg 2
041fab12-6556-11dd-ad8b-0800200c9a66 Environmental → Water → Long-term EF 3.1 kg 0
041fab0e-6556-11dd-ad8b-0800200c9a66 Environmental → Water → Ocean EF 3.1 kg 2
041fab0a-6556-11dd-ad8b-0800200c9a66 Environmental → Water → Surface water EF 3.1 kg 2
041fab11-6556-11dd-ad8b-0800200c9a66 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (59 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-161fc64ca8ce9b25",
  "prefLabel": [
    {
      "@value": "Butyl lactate",
      "@language": "en",
      "@lang": "en",
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        "prov:wasDerivedFrom": "Common Chemistry / ChEBI primary name agreement"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "(±)-n-Butyl lactate",
      "@language": "en",
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      }
    },
    {
      "@value": "2-Hydroxypropanoic acid butyl ester",
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      }
    },
    {
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    },
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      "@value": "2-propanoic Acid",
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        "prov:wasDerivedFrom": "original name retained as altLabel"
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    },
    {
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    },
    {
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    },
    {
      "@value": "Lactic acid, butyl ester",
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    },
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    {
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