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3,3'-[methylenebis(oxymethylene)]diheptane

fo-036ad8a1c2bcc07d

Identity

Type
Neutral molecule
CAS
22174-70-5
EC
244-815-1
Origin
EF 3.1 hybrid_name_cas_v1
Changes
53 across every transformer

Structure

Structure diagram for 3,3'-[methylenebis(oxymethylene)]diheptane

Alternative labels

4

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string QPIWJVQXEMCELO-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C17H36O2/c1-5-9-11-16(7-3)13-18-15-19-14-17(8-4)12-10-6-2/h16-17H,5-15H2,1-4H3
IUPAC name chemrof:IUPAC_name 3,3'-[methylenebis(oxymethylene)]diheptane
Molecular formula chemrof:molecular_formula C17H36O2
Molecular mass chemrof:molecular_mass 272.473
Monoisotopic mass chemrof:monoisotopic_mass 272.27153
SMILES string chemrof:smiles_string CCCCC(CC)COCOCC(CC)CCCC

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=22174-70-5 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.040.726 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID00897134 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J285.449J enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/89612 enrich_references.pubchem_compound
Wikidata https://www.wikidata.org/wiki/Q81987970 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
be693326-6f38-4611-911f-35fa4a3d8fdc Environmental → Air → Aircraft cruise height EF 3.1 kg 2
fe87ffcf-03dc-4008-902f-e40a2174edb4 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
98169b6a-21ad-44fc-9fb8-8f58091a8981 Environmental → Air → Indoor EF 3.1 kg 2
c44fb807-d0af-4b26-a501-57d070efbcb2 Environmental → Air → Long-term EF 3.1 kg 0
0a787a2e-888a-4655-a38c-3bda6aaf91b5 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
f799842f-b1eb-4a5f-8d4b-cc332dd25089 Environmental → Air → Unknown EF 3.1 kg 2
ee8a3a97-524f-4ff6-8694-b2205833c1d2 Environmental → Ground → Agricultural EF 3.1 kg 2
3415a658-f73c-4591-b8d9-a0749b405d48 Environmental → Ground → Non-agricultural EF 3.1 kg 2
a35d523c-d327-4cae-9786-1b1d8c7da309 Environmental → Ground → Unknown EF 3.1 kg 2
b6dad7a3-7108-4769-9914-3368f7fae0dc Environmental → Water → Long-term EF 3.1 kg 0
3ef48c78-44ed-4eba-bc0d-869256911644 Environmental → Water → Ocean EF 3.1 kg 2
0febd4c8-fa47-4b1e-9a01-a6a8a1921f16 Environmental → Water → Surface water EF 3.1 kg 2
b056d9e6-7398-4661-b111-0dec4bbb7a5c Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (53 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-036ad8a1c2bcc07d",
  "prefLabel": [
    {
      "@value": "3,3'-[methylenebis(oxymethylene)]diheptane",
      "@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": "2-Ethylhexylal",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3,3′-[Methylenebis(oxymethylene)]bis[heptane]",
      "@language": "en",
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      "provenance": {
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          "https://commonchemistry.cas.org/detail?cas_rn=22174-70-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Heptane, 3,3′-[methylenebis(oxymethylene)]bis-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Methane, bis[(2-ethylhexyl)oxy]-",
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      }
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  "properties": {
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      "rdfs:label": "InChI",
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    },
    "https://w3id.org/chemrof/molecular_mass": {
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    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
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      "rdfs:label": "Monoisotopic mass",
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      "attested_by": {
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        ]
      },
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    }
  },
  "references": [
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    },
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  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "0a787a2e-888a-4655-a38c-3bda6aaf91b5",
    "seed_source": "EF 3.1",
    "semantic_typing": {
      "rule": "neutral_molecule",
      "reason": "",
      "types": [
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      "provenance": {
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  },
  "classifications": {
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  "origin_qualifier": null,
  "parent_flow_object_id": null,
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  "@type": [
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  ]
}

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