Consensus flow list

Identity

Type
NeutralMolecule
CAS
10443-70-6
EC
Origin
EF 3.1 hybrid_name_cas_v1
Changes
58 across every transformer

Structure

Structure diagram for MCPB-ethyl

Alternative labels

9

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string XNKARWLGLZGMGX-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C13H17ClO3/c1-3-16-13(15)5-4-8-17-12-7-6-11(14)9-10(12)2/h6-7,9H,3-5,8H2,1-2H3
IUPAC name chemrof:IUPAC_name Butanoic acid, 4-(4-chloro-2-methylphenoxy)-, ethyl ester
Molecular formula chemrof:molecular_formula C13H17ClO3
Molecular mass chemrof:molecular_mass 256.729
Monoisotopic mass chemrof:monoisotopic_mass 256.086622
SMILES string chemrof:smiles_string CCOC(=O)CCCOc1ccc(Cl)cc1C

Known URLs

6

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=10443-70-6 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.123.876 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID4058287 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J5.226D enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/25286 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q81976794 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
4d7ee906-d568-4fe7-83af-b46929646911 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
55a1cb37-e9b8-4a63-bf76-32baabc744fc Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
3176bf90-97da-4f21-a1f4-7ff11701d90a Environmental → Air → Indoor EF 3.1 kg 2
4b1df427-750c-48b1-b9c6-1902589082d4 Environmental → Air → Long-term EF 3.1 kg 0
3579186f-c6c8-47bd-ada9-51ec78861f5a Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
77c20f40-8335-4304-af12-23059b2debd6 Environmental → Air → Unknown EF 3.1 kg 2
00329712-7cd0-4466-968d-0372bf1c31e8 Environmental → Ground → Agricultural EF 3.1 kg 2
0784c6eb-61e9-4b2b-8e98-a0f30fea65b1 Environmental → Ground → Non-agricultural EF 3.1 kg 2
468a1a73-87c6-4727-a0c6-d9e198d83b14 Environmental → Ground → Unknown EF 3.1 kg 2
92debeac-9a4e-455b-aa20-fa1aac010df5 Environmental → Water → Long-term EF 3.1 kg 0
6a107922-a883-41b7-b593-e53892632799 Environmental → Water → Ocean EF 3.1 kg 2
13cfee54-2e63-4af2-8cc0-045ba7668cf2 Environmental → Water → Surface water EF 3.1 kg 2
142e7d29-2b6d-4af2-9076-7300eff2b324 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (58 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-b7645ee3eae6046d",
  "prefLabel": [
    {
      "@value": "MCPB-ethyl",
      "@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": "Butanoic acid, 4-(4-chloro-2-methylphenoxy)-, ethyl ester",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=10443-70-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Butyric acid, 4-[(4-chloro-o-tolyl)oxy]-, ethyl ester",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=10443-70-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Ethyl (2-methyl-4-chlorophenoxy)butyrate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Ethyl 4-(4-chloro-2-methylphenoxy)butyrate",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Ethyl 4-[(4-chloro-o-tolyl)oxy]butyrate",
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    },
    {
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      }
    },
    {
      "@value": "MCPB ethyl",
      "@language": "en",
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        ],
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      }
    },
    {
      "@value": "MCPB ethyl ester",
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    },
    {
      "@value": "MCPBE",
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    },
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  "references": [
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}

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