Consensus flow list

Identity

Type
Neutral molecule
CAS
126-86-3
EC
204-809-1
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 2,4,7,9-tetramethyldec-5-yne-4,7-diol

Alternative labels

25

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string LXOFYPKXCSULTL-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C14H26O2/c1-11(2)9-13(5,15)7-8-14(6,16)10-12(3)4/h11-12,15-16H,9-10H2,1-6H3
IUPAC name chemrof:IUPAC_name 2,4,7,9-tetramethyldec-5-yne-4,7-diol
Molecular formula chemrof:molecular_formula C14H26O2
Molecular mass chemrof:molecular_mass 226.36
Monoisotopic mass chemrof:monoisotopic_mass 226.19328
SMILES string chemrof:smiles_string CC(C)CC(C)(O)C#CC(C)(O)CC(C)C

Known URLs

10

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=126-86-3 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.004.373 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID7027041 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=5630 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL2143891 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/B9Y126NY8K enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0245484 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J35.933E enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/31362 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q2384542 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
630271e8-131e-47da-a544-b46ec50f0879 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
33e6df15-694d-4a8c-81ce-223f7e909b31 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
535b656d-b9a6-4730-9f8d-afa113ab9f54 Environmental → Air → Indoor EF 3.1 kg 4
48b6c2f0-8e8a-4eb0-b536-ce7c1311785e Environmental → Air → Long-term EF 3.1 kg 0
e20e8a63-ad0b-470b-9f40-14b1793408c2 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
2f01cbf4-8948-4ac5-b318-d081a0b81b0c Environmental → Air → Unknown EF 3.1 kg 4
a1090a23-aec4-441e-b3dc-c4597b96fbe5 Environmental → Ground → Agricultural EF 3.1 kg 4
d32b8dd1-7999-4133-8098-14cc3fc67577 Environmental → Ground → Non-agricultural EF 3.1 kg 4
cc88df93-40db-4c64-a6de-ae0956780542 Environmental → Ground → Unknown EF 3.1 kg 4
76e7e62b-f87b-47d1-80ea-aa31ee550197 Environmental → Water → Long-term EF 3.1 kg 0
c5b51940-7023-46f2-abfb-69851ed9d847 Environmental → Water → Ocean EF 3.1 kg 4
35d16433-6a27-4b68-9209-03a381ec0de3 Environmental → Water → Surface water EF 3.1 kg 4
fa8b2c70-a2f1-42c7-9be4-0bdb8ea43e48 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
{
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      "@value": "Olfine PD 301",
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    {
      "@value": "Surfadol 541DPM",
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    {
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    {
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    },
    {
      "@value": "TMDD",
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      "@value": "TMDD-BG 52",
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      "@value": "TMDDO",
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    },
    {
      "@value": "Tuyile FS 204",
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  ],
  "properties": {
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    "https://w3id.org/chemrof/monoisotopic_mass": {
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