Consensus flow list

Identity

Type
Neutral molecule
CAS
4435-53-4
EC
224-644-9
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for 3-methoxybutyl Acetate

Alternative labels

7

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string QMYGFTJCQFEDST-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C7H14O3/c1-6(9-3)4-5-10-7(2)8/h6H,4-5H2,1-3H3
IUPAC name chemrof:IUPAC_name 3-methoxybutyl Acetate
Molecular formula chemrof:molecular_formula C7H14O3
Molecular mass chemrof:molecular_mass 146.186
Monoisotopic mass chemrof:monoisotopic_mass 146.094294
SMILES string chemrof:smiles_string COC(C)CCOC(C)=O

Known URLs

9

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=4435-53-4 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.022.405 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID2052106 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=15638 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/2W0NXC23XW enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.717F enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/20498 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/Q27255676 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
8bfc6122-3cec-4133-aac2-ec24e6596366 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
dbb9f7fd-a4f7-4914-94d6-a6eaa15c6b09 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
5a6d8a4d-ca24-455b-abf7-8eee73b392f2 Environmental → Air → Indoor EF 3.1 kg 4
18a7388a-53cf-47a2-8179-bcd4ea8ea5b0 Environmental → Air → Long-term EF 3.1 kg 0
6df498a6-e970-4a43-8eb4-0e0a579f66e2 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
14466834-502f-4c7f-b90c-62759ff4b266 Environmental → Air → Unknown EF 3.1 kg 4
bf9f24cb-dd75-4321-a631-5f03396f2f3f Environmental → Ground → Agricultural EF 3.1 kg 4
cfe8e915-87d8-4e8e-b6e0-9432f2c0c7cb Environmental → Ground → Non-agricultural EF 3.1 kg 4
ca214ef5-6518-4ea4-b145-c570a6c02424 Environmental → Ground → Unknown EF 3.1 kg 4
aeebcdc8-ebba-463d-8283-75434fbbdb78 Environmental → Water → Long-term EF 3.1 kg 0
96c230e4-bcfd-4738-a5f3-adcb54e6b9dd Environmental → Water → Ocean EF 3.1 kg 4
1490f9e6-06be-49b7-8718-2b49f6cf8317 Environmental → Water → Surface water EF 3.1 kg 4
cc5eeb2d-6b87-44b4-921a-babe7a84c1b2 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-bb2c7f6e636e13eb",
  "prefLabel": [
    {
      "@value": "3-methoxybutyl Acetate",
      "@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": "1-Butanol, 3-methoxy-, 1-acetate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:4435-53-4",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=4435-53-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1-Butanol, 3-methoxy-, acetate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3-Methoxy-1-butanol acetate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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          "https://commonchemistry.cas.org/detail?cas_rn=4435-53-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3-Methoxy-1-butyl acetate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3-Methoxy-n-butyl acetate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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        ],
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      }
    },
    {
      "@value": "Acetic acid 3-methoxybutyl ester",
      "@language": "en",
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      }
    },
    {
      "@value": "Butoxyl",
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}

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