2-ethoxy-2-methylbutane

Butane, 2-ethoxy-2-methyl-
Ether, ethyl tert-pentyl
Ethyl 1,1-dimethylpropyl ether
Ethyl tert-amyl ether
Ethyl tert-pentyl ether
tert-Amyl ethyl ether

Property	Value
InChI2D key string chemrof:inchi2d_key_string	KFRVYYGHSPLXSZ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C7H16O/c1-5-7(3,4)8-6-2/h5-6H2,1-4H3
IUPAC name chemrof:IUPAC_name	2-ethoxy-2-methylbutane
Molecular formula chemrof:molecular_formula	C7H16O
Molecular mass chemrof:molecular_mass	116.204
Monoisotopic mass chemrof:monoisotopic_mass	116.120115
SMILES string chemrof:smiles_string	CCOC(C)(C)CC

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=919-94-8	enrich_references.pubchem_identifier_url
chem.echa.europa.eu	https://chem.echa.europa.eu/100.122.084	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID7061279	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/529VD83WPK	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J293.870G	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/13527	enrich_references.pubchem_compound
Wikidata	https://www.wikidata.org/wiki/Q28941824	enrich_references.pubchem_identifier_url
Wikipedia	https://en.wikipedia.org/wiki/Tert-Amyl_ethyl_ether	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
b46b5015-b9e8-47a7-8b2a-559ddcf47167	Environmental → Air → Aircraft cruise height	EF 3.1	kg	4
da50fee7-898d-48a0-a7aa-e2e8902e64a7	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	4
ab2c771d-a8e3-4e33-9a59-9a1ec4e8b19e	Environmental → Air → Indoor	EF 3.1	kg	4
9a9f9d14-228d-4ed0-a2a4-f3078fb612dd	Environmental → Air → Long-term	EF 3.1	kg	0
e70de597-d9a6-41f8-a3ea-1f9bb36c06e8	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	4
e2767b83-86bb-4704-ae5d-f192a1004f33	Environmental → Air → Unknown	EF 3.1	kg	4
17ac771c-befb-4e43-a27d-463cb899a5f1	Environmental → Ground → Agricultural	EF 3.1	kg	4
c2171820-616f-404c-b68b-490da940486c	Environmental → Ground → Non-agricultural	EF 3.1	kg	4
5ca69acc-8ba7-4dce-8b9f-635903217c1e	Environmental → Ground → Unknown	EF 3.1	kg	4
17890c8b-08d5-4e32-b65a-1233d0663ec3	Environmental → Water → Long-term	EF 3.1	kg	0
b5cfdb8c-0c83-4153-99d4-336fb14fe0f4	Environmental → Water → Ocean	EF 3.1	kg	4
9805e338-3a37-44e8-9929-9e27f2f3e3ff	Environmental → Water → Surface water	EF 3.1	kg	4
24c5de18-fcb8-43bf-a480-7e179066f7c2	Environmental → Water → Unknown	EF 3.1	kg	4

Everything that changed this substance (54 changes)

Open the changes page

Flow object JSON

{
  "flow_object_id": "fo-3ecbb0226c22636e",
  "prefLabel": [
    {
      "@value": "2-ethoxy-2-methylbutane",
      "@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": "Butane, 2-ethoxy-2-methyl-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:919-94-8",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=919-94-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Ether, ethyl tert-pentyl",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:919-94-8",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=919-94-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Ethyl 1,1-dimethylpropyl ether",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:919-94-8",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=919-94-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Ethyl tert-amyl ether",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:919-94-8",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=919-94-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Ethyl tert-pentyl ether",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:919-94-8",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=919-94-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "tert-Amyl ethyl ether",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:919-94-8",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=919-94-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C7H16O"
      ],
      "attested_by": {
        "C7H16O": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "Molecular formula",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:13527"
          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCOC(C)(C)CC"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "KFRVYYGHSPLXSZ-UHFFFAOYSA-N"
      ],
      "attested_by": {
        "KFRVYYGHSPLXSZ-UHFFFAOYSA-N": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "InChIKey",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:13527"
          ],
          "prov:wasDerivedFrom": "pubchem.props.InChIKey"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCOC(C)(C)CC"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "CCOC(C)(C)CC"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "2-ethoxy-2-methylbutane"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCOC(C)(C)CC"
          ]
        }
      ],
      "attested_by": {
        "CCOC(C)(C)CC": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/C7H16O/c1-5-7(3,4)8-6-2/h5-6H2,1-4H3"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "2-ethoxy-2-methylbutane"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCOC(C)(C)CC"
          ]
        }
      ],
      "attested_by": {
        "InChI=1S/C7H16O/c1-5-7(3,4)8-6-2/h5-6H2,1-4H3": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
        "2-ethoxy-2-methylbutane"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "opsin_iupac",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "2-ethoxy-2-methylbutane"
        ]
      },
      "attested_by": {
        "2-ethoxy-2-methylbutane": [
          "opsin_iupac"
        ]
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "rdfs:label": "Molecular mass",
      "@value": [
        116.204
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCC(C)(C)OCC"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCOC(C)(C)CC"
          ]
        }
      ],
      "attested_by": {
        "116.204": [
          "rdkit_post_consensus",
          "rdkit_pre_consensus"
        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
      "@id": "https://w3id.org/chemrof/monoisotopic_mass",
      "rdfs:label": "Monoisotopic mass",
      "@value": [
        116.120115
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCC(C)(C)OCC"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCOC(C)(C)CC"
          ]
        }
      ],
      "attested_by": {
        "116.120115": [
          "rdkit_post_consensus",
          "rdkit_pre_consensus"
        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    }
  },
  "references": [
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J293.870G",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:13527;CAS:919-94-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[919-94-8]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.122.084",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:13527;CAS:919-94-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[919-94-8]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=919-94-8",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:13527;CAS:919-94-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[919-94-8]"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID7061279",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:13527;CAS:919-94-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[919-94-8]"
      }
    },
    {
      "@id": "https://en.wikipedia.org/wiki/Tert-Amyl_ethyl_ether",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:13527;CAS:919-94-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[919-94-8]"
      }
    },
    {
      "@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/529VD83WPK",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:13527;CAS:919-94-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[919-94-8]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/13527",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:13527;CAS:919-94-8"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[919-94-8]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q28941824",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:13527;CAS:919-94-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[919-94-8]"
      }
    }
  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "17890c8b-08d5-4e32-b65a-1233d0663ec3",
    "seed_source": "EF 3.1",
    "semantic_typing": {
      "rule": "neutral_molecule",
      "reason": "",
      "types": [
        "https://w3id.org/chemrof/NeutralMolecule"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "semantic_typing.classify",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:wasDerivedFrom": "semantic_typing.rule.neutral_molecule"
      }
    }
  },
  "classifications": {
    "http://semanticscience.org/resource/CHEMINF_000446": {
      "@value": [
        "919-94-8"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=919-94-8"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=919-94-8"
        }
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    "http://semanticscience.org/resource/CHEMINF_000447": {
      "@value": [
        "618-804-0"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=618-804-0"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "ec_numbers"
      }
    }
  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works

2-ethoxy-2-methylbutane

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

History

Full record

Something wrong here?

Keyboard