Consensus flow list

Identity

Type
NeutralMolecule
CAS
29911-28-2
EC
249-951-5
Origin
EF 3.1 hybrid_name_cas_v1
Changes
53 across every transformer

Structure

Structure diagram for 1-(2-butoxy-1-methylethoxy)propan-2-ol

Alternative labels

7

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string CUVLMZNMSPJDON-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C10H22O3/c1-4-5-6-12-8-10(3)13-7-9(2)11/h9-11H,4-8H2,1-3H3
IUPAC name chemrof:IUPAC_name 1-(2-butoxy-1-methylethoxy)propan-2-ol
Molecular formula chemrof:molecular_formula C10H22O3
Molecular mass chemrof:molecular_mass 190.283
Monoisotopic mass chemrof:monoisotopic_mass 190.156895
SMILES string chemrof:smiles_string CCCCOCC(C)OCC(C)O

Known URLs

11

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=29911-28-2 enrich_references.consensus_cas_link
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=35884-42-5 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.045.395 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=1617 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID8027959 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3187219 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/T6ECP5S4P4 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J50.956F enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/24752 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q10395725 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q72501583 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
d6ea20de-ae3c-4e5e-9488-041565546423 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
0524cbd8-5344-4995-89ce-9583627aa19a Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
da548549-d544-497e-88da-a9d256830e05 Environmental → Air → Indoor EF 3.1 kg 4
2f107dcd-bf04-4ef2-b0b6-a6a1684aa0af Environmental → Air → Long-term EF 3.1 kg 0
f57187b6-2c41-4a6c-995e-332a599bc23a Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
c13ed260-ad05-4c56-9c50-e77e001096ce Environmental → Air → Unknown EF 3.1 kg 4
264d24f9-49ba-44d6-870e-42c4e7fed9f2 Environmental → Ground → Agricultural EF 3.1 kg 4
0cb8390d-8b2f-4e6e-8baf-e1852de21405 Environmental → Ground → Non-agricultural EF 3.1 kg 4
30aa5e24-8b1e-41b4-8719-2630e9cc00aa Environmental → Ground → Unknown EF 3.1 kg 4
354f68a8-7874-452f-af9a-f452d9b68a7d Environmental → Water → Long-term EF 3.1 kg 0
376035f2-4e4f-418c-8255-eeffaceeacc8 Environmental → Water → Ocean EF 3.1 kg 4
3df17deb-eee8-4d43-a15a-0e97cd2c2695 Environmental → Water → Surface water EF 3.1 kg 4
6feafe35-1c01-420f-8922-57ae413987f3 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (53 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-cb6fef8a5473478d",
  "prefLabel": [
    {
      "@value": "1-(2-butoxy-1-methylethoxy)propan-2-ol",
      "@language": "en",
      "@lang": "en",
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        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "(2-Butoxy-1-methylethoxy)propan-2-ol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1-((1-Butoxypropan-2-yl)oxy)propan-2-ol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1-(1-Butoxy-2-propoxy)-2-propanol",
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      }
    },
    {
      "@value": "1-(2-Butoxy-1-methylethoxy)-2-propanol",
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}

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