Consensus flow list

Identity

Type
Neutral molecule
CAS
1634-04-4
EC
216-653-1
Origin
EF 3.1 hybrid_name_cas_v1
Changes
57 across every transformer

Structure

Structure diagram for Tert-butyl Methyl Ether

Alternative labels

15

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string BZLVMXJERCGZMT-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3
IUPAC name chemrof:IUPAC_name Tert-butyl Methyl Ether
Molecular formula chemrof:molecular_formula C5H12O
Molecular mass chemrof:molecular_mass 88.15
Monoisotopic mass chemrof:monoisotopic_mass 88.088815, 88.08882
SMILES string chemrof:smiles_string COC(C)(C)C

Known URLs

35

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=1634-04-4 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:27642 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.015.140 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=1164 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID3020833 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1452799 enrich_references.pubchem_identifier_url
gmelin gmelin:773738 enrich_references.chebi_xrefs
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/29I4YB3S89 enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0061749 enrich_references.pubchem_identifier_url
hts.usitc.gov https://hts.usitc.gov/search?query=2909.19.14.00 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J27.142J enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C11344 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C11344 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=51401 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/15413 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#2398 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/19201538 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/21044818 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/21072404 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/21112690 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/21130999 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/21131048 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/21227585 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/21315889 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/21330701 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/21482276 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/21644118 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/21684239 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/21780613 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/21782339 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/9472332 enrich_references.chebi_xrefs
reaxys reaxys:1730942 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q412346 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/MTBE enrich_references.chebi_xrefs
Wikipedia https://en.wikipedia.org/wiki/Methyl_tert-butyl_ether enrich_references.pubchem_identifier_url

Elementary flows

15
Flow Context Source Unit CFs
1f30af51-6556-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 7
08a91e70-3ddc-11dd-9936-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 7
a1151723-8111-491d-9394-811e1e4ba65f Environmental → Air → Indoor EF 3.1 kg 6
08a91e70-3ddc-11dd-9935-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 1
08a91e70-3ddc-11dd-9937-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 7
08a91e70-3ddc-11dd-9934-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 7
fe0acd60-3ddc-11dd-a221-0050c2490048 Environmental → Ground → Agricultural EF 3.1 kg 6
fe0acd60-3ddc-11dd-a223-0050c2490048 Environmental → Ground → Non-agricultural EF 3.1 kg 6
fe0acd60-3ddc-11dd-a222-0050c2490048 Environmental → Ground → Unknown EF 3.1 kg 6
08a91e70-3ddc-11dd-9939-0050c2490048 Environmental → Water → Long-term EF 3.1 kg 0
08a91e70-3ddc-11dd-993b-0050c2490048 Environmental → Water → Ocean EF 3.1 kg 6
45aadc61f3bd9955bc5a15cf87af6be28e38560e Environmental → Water → River bafu algorithm addition kg 0
08a91e70-3ddc-11dd-9938-0050c2490048 Environmental → Water → Surface water EF 3.1 kg 6
6e7a64df8b54d48b6d0583fa56720e55cad32b45 Environmental → Water → Unconfined aquifer ecoinvent algorithm addition kg 0
08a91e70-3ddc-11dd-993a-0050c2490048 Environmental → Water → Unknown EF 3.1 kg 6

History

Everything that changed this substance (57 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-a935acb263b1c533",
  "prefLabel": [
    {
      "@value": "Tert-butyl Methyl Ether",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1,1-Dimethylethyl methyl ether",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=1634-04-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Methoxy-2-methylpropane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "http://purl.obolibrary.org/obo/CHEBI_27642"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "2-Methyl-2-methoxypropane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "http://purl.obolibrary.org/obo/CHEBI_27642"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Driveron",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=1634-04-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Ether, tert-butyl methyl",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "EF 3.1",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Methyl 1,1-dimethylethyl ether",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Methyl t-butyl ether",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "http://purl.obolibrary.org/obo/CHEBI_27642"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Methyl tert-butyl ether",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "http://purl.obolibrary.org/obo/CHEBI_27642"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Methyl tertiary butyl ether",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Methyl tertiary-butyl ether",
      "@language": "en",
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      "provenance": {
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "MTBE",
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      "provenance": {
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Propane, 2-methoxy-2-methyl-",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "t-Butyl methyl ether",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "tert-Butoxymethane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "tert-C4H9OCH3",
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      "@lang": "en",
      "provenance": {
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  ],
  "properties": {
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    "https://w3id.org/chemrof/smiles_string": {
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      "rdfs:label": "SMILES",
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      "rdfs:label": "InChI",
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        "prov:wasDerivedFrom": "chebi.basic_property_values.charge"
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    },
    "https://w3id.org/chemrof/IUPAC_name": {
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      "rdfs:label": "IUPAC name",
      "@value": [
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      ],
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      },
      "attested_by": {
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  },
  "references": [
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