Consensus flow list

Identity

Type
Neutral molecule
CAS
17913-76-7
EC
451-160-7
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 2,4,7,9-tetramethyl-4,7-decanediol

Alternative labels

3

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string BTRWELPXUDWAGW-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C14H30O2/c1-11(2)9-13(5,15)7-8-14(6,16)10-12(3)4/h11-12,15-16H,7-10H2,1-6H3
IUPAC name chemrof:IUPAC_name 2,4,7,9-tetramethyl-4,7-decanediol
Molecular formula chemrof:molecular_formula C14H30O2
Molecular mass chemrof:molecular_mass 230.392
Monoisotopic mass chemrof:monoisotopic_mass 230.22458
SMILES string chemrof:smiles_string CC(C)CC(C)(O)CCC(C)(O)CC(C)C

Known URLs

9

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=17913-76-7 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.104.261 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.112.968 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID40279834 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=14264 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/7YMM0N5W23 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.766.876A enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/225155 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27269029 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
ace8531b-094c-4d60-b98a-22ee9c75f200 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
35c2f66f-d03c-4776-aa98-a94a0753a0d1 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
468fd5d4-7ccb-4d69-a22f-6a7e856e3dc7 Environmental → Air → Indoor EF 3.1 kg 4
e2b9786b-e3b0-40e2-a4a7-bad65545f4a9 Environmental → Air → Long-term EF 3.1 kg 0
e65ba350-5943-4cf2-badb-15246f2baf94 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
ac3f7849-76b0-4312-a78e-b03dd4968577 Environmental → Air → Unknown EF 3.1 kg 4
e2fc5548-ef57-4424-8f2f-b74e99488550 Environmental → Ground → Agricultural EF 3.1 kg 4
f8690039-186c-47b8-bb45-bc2e66a38521 Environmental → Ground → Non-agricultural EF 3.1 kg 4
5262cca5-c0f7-4ab2-bd79-d3ec04153dc6 Environmental → Ground → Unknown EF 3.1 kg 4
2bd81747-2d3a-408a-91fc-692f69fb9b84 Environmental → Water → Long-term EF 3.1 kg 0
603b8b52-184c-4c75-9eed-70a472c7e033 Environmental → Water → Ocean EF 3.1 kg 4
74bb9043-d17b-4d33-bb96-cd4e6dd0c00b Environmental → Water → Surface water EF 3.1 kg 4
37a62a3e-ee68-4230-9e9c-c6f9b7db8ee5 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-936df9b03059fc65",
  "prefLabel": [
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      "@value": "2,4,7,9-tetramethyl-4,7-decanediol",
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      "@lang": "en",
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        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "2,4,7,9-Tetramethyldecane-4,7-diol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4,7-Decanediol, 2,4,7,9-tetramethyl-",
      "@language": "en",
      "@lang": "en",
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        ],
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    },
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}

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