Consensus flow list

Identity

Type
Neutral molecule
CAS
115-84-4
EC
204-111-7
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 2-butyl-2-ethylpropane-1,3-diol

Alternative labels

9

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string DSKYSDCYIODJPC-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C9H20O2/c1-3-5-6-9(4-2,7-10)8-11/h10-11H,3-8H2,1-2H3
IUPAC name chemrof:IUPAC_name 2-butyl-2-ethylpropane-1,3-diol
Molecular formula chemrof:molecular_formula C9H20O2
Molecular mass chemrof:molecular_mass 160.257
Monoisotopic mass chemrof:monoisotopic_mass 160.14633
SMILES string chemrof:smiles_string CCCCC(CC)(CO)CO

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=115-84-4 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.003.738 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID8041400 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=406603 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3185639 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/61P3KJ8K4Y enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J5.274D enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/61038 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q15632773 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
56b5873f-a476-4b26-8dcb-b442c91a3001 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
cb756174-8571-48a4-9ea6-b278f74805dc Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
9bcb7e24-c69e-4338-8086-0f7031a6986e Environmental → Air → Indoor EF 3.1 kg 4
a3f092e2-007d-4465-8c77-74bff320de21 Environmental → Air → Long-term EF 3.1 kg 0
050355cd-22df-4f91-ac42-42c34ccbe38d Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
473e28f9-94a3-43a0-ab08-6243835115b3 Environmental → Air → Unknown EF 3.1 kg 4
ebd08ddd-c35f-42c3-862a-c9c9e4a740a1 Environmental → Ground → Agricultural EF 3.1 kg 4
37e19c66-ff1d-4f43-a70f-74682c0f89c2 Environmental → Ground → Non-agricultural EF 3.1 kg 4
25c5b141-108d-40ed-9c26-de0bbf42d09a Environmental → Ground → Unknown EF 3.1 kg 4
ec64fc61-67e5-45e1-8205-c1aac586878c Environmental → Water → Long-term EF 3.1 kg 0
fd49b783-fb0d-4ca3-b5ef-f8d6489f4c8b Environmental → Water → Ocean EF 3.1 kg 4
9bc999b6-85ac-4960-b3bc-4ccec457c159 Environmental → Water → Surface water EF 3.1 kg 4
cc54d052-c73f-4617-955e-8e2bc4fa454a 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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  "altLabel": [
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      "@language": "en",
      "@lang": "en",
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    },
    {
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    },
    {
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