Consensus flow list

Identity

Type
NeutralMolecule
CAS
57018-52-7
EC
Origin
EF 3.1 hybrid_name_cas_v1
Changes
51 across every transformer

Structure

Structure diagram for 1-butoxypropanol

Alternative labels

8

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string GQCZPFJGIXHZMB-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C7H16O2/c1-6(8)5-9-7(2,3)4/h6,8H,5H2,1-4H3
IUPAC name chemrof:IUPAC_name 1-(1,1-Dimethylethoxy)-2-propanol
Molecular formula chemrof:molecular_formula C7H16O2
Molecular mass chemrof:molecular_mass 132.203
Monoisotopic mass chemrof:monoisotopic_mass 132.11503
SMILES string chemrof:smiles_string CC(O)COC(C)(C)C

Known URLs

15

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=57018-52-7 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:82413 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.100.776 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.112.653 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=1615 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID8025967 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1456695 enrich_references.pubchem_identifier_url
glycosmos.org https://glycosmos.org/glycans/show/G57327KS enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/03077MV85B enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J910.408I enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C19356 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C19356 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/92629 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/Q2847602 enrich_references.pubchem_identifier_url

Elementary flows

12
Flow Context Source Unit CFs
3e4d7783-6556-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 1
4d9a8790-3ddd-11dd-9ad3-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 1
4d9a8790-3ddd-11dd-9693-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 1
4d9a8790-3ddd-11dd-9ad4-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 1
4d9a8790-3ddd-11dd-9692-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 1
3e4d7781-6556-11dd-ad8b-0800200c9a66 Environmental → Ground → Agricultural EF 3.1 kg 0
3e4d7784-6556-11dd-ad8b-0800200c9a66 Environmental → Ground → Non-agricultural EF 3.1 kg 0
3e4d7786-6556-11dd-ad8b-0800200c9a66 Environmental → Ground → Unknown EF 3.1 kg 0
3e4d7788-6556-11dd-ad8b-0800200c9a66 Environmental → Water → Long-term EF 3.1 kg 0
3e4d7785-6556-11dd-ad8b-0800200c9a66 Environmental → Water → Ocean EF 3.1 kg 0
3e4d7782-6556-11dd-ad8b-0800200c9a66 Environmental → Water → Surface water EF 3.1 kg 0
3e4d7787-6556-11dd-ad8b-0800200c9a66 Environmental → Water → Unknown EF 3.1 kg 0

History

Everything that changed this substance (51 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-a98749e79ba93ddc",
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    {
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      ],
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      ],
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        "prov:wasAttributedTo": "consensus-flow-list",
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      }
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  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

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