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Triethylene glycol monomethyl ether

fo-8140eb4bec1218c0

Identity

Type
Neutral molecule
CAS
112-35-6
EC
203-962-1
Origin
EF 3.1 hybrid_name_cas_v1
Changes
58 across every transformer

Structure

Structure diagram for Triethylene glycol monomethyl ether

Alternative labels

20

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string JLGLQAWTXXGVEM-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C7H16O4/c1-9-4-5-11-7-6-10-3-2-8/h8H,2-7H2,1H3
IUPAC name chemrof:IUPAC_name Triethylene glycol monomethyl ether
Molecular formula chemrof:molecular_formula C7H16O4
Molecular mass chemrof:molecular_mass 164.201
Monoisotopic mass chemrof:monoisotopic_mass 164.104859, 164.10486
SMILES string chemrof:smiles_string COCCOCCOCCO

Known URLs

16

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=112-35-6 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:84233 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.003.602 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=1291 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID5026912 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=97395 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1794613 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/DN0P4Q4I16 enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0062666 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J22.128G enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=124675 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/8178 enrich_references.pubchem_compound
PubMed https://pubmed.ncbi.nlm.nih.gov/25203598 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/25518943 enrich_references.chebi_xrefs
reaxys reaxys:1700198 enrich_references.chebi_xrefs
Wikidata https://www.wikidata.org/wiki/Q27157604 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
90697af4-a3f4-44eb-9a41-aaa3a7a1aacf Environmental → Air → Aircraft cruise height EF 3.1 kg 4
c2979fe4-a163-47a7-84dc-3dbb1a54f807 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
2de7a199-3994-49de-8695-1a4c8cf0a348 Environmental → Air → Indoor EF 3.1 kg 4
8fe72fa4-ff3f-4211-93ad-e7c9e4fb4ff4 Environmental → Air → Long-term EF 3.1 kg 0
d0fcaa5a-3983-4b15-80f0-5609bd95fd7b Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
c81b5428-a709-4c0b-b6e7-2098b1487ec5 Environmental → Air → Unknown EF 3.1 kg 4
9967bee0-309a-4ec3-a9ff-5b7e44da0179 Environmental → Ground → Agricultural EF 3.1 kg 4
5c2cdefb-976a-4b81-830e-5f26e6666f1f Environmental → Ground → Non-agricultural EF 3.1 kg 4
3908f08c-83df-48a3-8e45-3512d644bac3 Environmental → Ground → Unknown EF 3.1 kg 4
de28011f-8264-43d7-be6c-c253d8e73ccf Environmental → Water → Long-term EF 3.1 kg 0
d0530af6-c7ed-43f8-a430-a8095396e96d Environmental → Water → Ocean EF 3.1 kg 4
b051c17c-827f-4bbc-a407-28f9d8a8ff3e Environmental → Water → Surface water EF 3.1 kg 4
87014574-d6b8-40ed-b6fb-6a3eecffd67a Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (58 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-8140eb4bec1218c0",
  "prefLabel": [
    {
      "@value": "Triethylene glycol monomethyl ether",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "Common Chemistry / ChEBI primary name agreement"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "2-(2-(2-Ethoxyethoxy)ethoxy)ethan-1-ol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-(2-(2-Methoxyethoxy)ethoxy)ethan-1-ol",
      "@language": "en",
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        ],
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      }
    },
    {
      "@value": "2-(2-(2-methoxyethoxy)ethoxy)ethanol",
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    {
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    },
    {
      "@value": "2-[2-(2-methoxyethoxy)ethoxy]ethanol",
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    {
      "@value": "3,6,9-Trioxa-1-decanol",
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    },
    {
      "@value": "3,6,9-Trioxadecanol",
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        ],
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      }
    },
    {
      "@value": "Bikanol M 3",
      "@language": "en",
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        ],
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      }
    },
    {
      "@value": "Dowanol TMAT",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Ethanol, 2-[2-(2-methoxyethoxy)ethoxy]-",
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      }
    },
    {
      "@value": "Hymol TM",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Methoxytriethylene glycol",
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      }
    },
    {
      "@value": "Methoxytriglycol",
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      }
    },
    {
      "@value": "Methyl triethylene glycol",
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    },
    {
      "@value": "Methyltriglycol",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Methyltrioxitol",
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    },
    {
      "@value": "Monomethoxytriethylene glycol",
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      }
    },
    {
      "@value": "MTG",
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    },
    {
      "@value": "Triethylene glycolmonomethyl ether",
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    },
    {
      "@value": "Triglycol monomethyl ether",
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  },
  "references": [
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