Consensus flow list

1,1-dimethylpropyl Methyl Ether

fo-3acf9dd5ec50958e

Identity

Type
NeutralMolecule
CAS
994-05-8
EC
213-611-4
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for 1,1-dimethylpropyl Methyl Ether

Alternative labels

11

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string HVZJRWJGKQPSFL-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C6H14O/c1-5-6(2,3)7-4/h5H2,1-4H3
IUPAC name chemrof:IUPAC_name 1,1-dimethylpropyl Methyl Ether
Molecular formula chemrof:molecular_formula C6H14O
Molecular mass chemrof:molecular_mass 102.177
Monoisotopic mass chemrof:monoisotopic_mass 102.104465
SMILES string chemrof:smiles_string CCC(C)(C)OC

Known URLs

12

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=994-05-8 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.012.374 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=1496 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID8024521 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1359297 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/94525J1AP8 enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0258837 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J125.007H enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/61247 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#3271 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q4346419 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Tert-Amyl_methyl_ether enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
ac469bdc-42d8-4659-8b2a-6d6cf1f65461 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
fb9c477a-7cbf-43a3-b5cc-6db7657b08b1 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
4bf3fc95-9c14-4448-aede-da6b8521f36f Environmental → Air → Indoor EF 3.1 kg 4
0633ec96-2bb7-4796-afc6-a5aec7f575c1 Environmental → Air → Long-term EF 3.1 kg 0
0afce780-1546-404e-9e2f-5c0879c72dc2 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
efb3784f-54da-41a9-9344-587e2d641e30 Environmental → Air → Unknown EF 3.1 kg 4
d02b8a35-67f8-4ee7-b4c3-2a0f2279238f Environmental → Ground → Agricultural EF 3.1 kg 4
05b4ab8d-d019-42ad-a817-49279c833ef6 Environmental → Ground → Non-agricultural EF 3.1 kg 4
8f837c56-7fd0-467c-9c5a-9b1f88926dd7 Environmental → Ground → Unknown EF 3.1 kg 4
e482c7fa-44a9-4073-a9ec-019ab84adb14 Environmental → Water → Long-term EF 3.1 kg 0
1675a0a0-feba-43fb-8a84-2fa496b464ea Environmental → Water → Ocean EF 3.1 kg 4
a8bf653d-0836-459c-a653-bb9758fbd697 Environmental → Water → Surface water EF 3.1 kg 4
cbe65ac3-ae4c-468b-a3b3-99024261842c 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 
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        "prov:wasDerivedFrom": "ec_numbers"
      }
    }
  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

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