Consensus flow list

5,5-dimethylcyclohexane-1,3-dione

fo-d9417331f7fa9a77

Identity

Type
Neutral molecule
CAS
126-81-8
EC
204-804-4
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for 5,5-dimethylcyclohexane-1,3-dione

Alternative labels

14

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string BADXJIPKFRBFOT-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C8H12O2/c1-8(2)4-6(9)3-7(10)5-8/h3-5H2,1-2H3
IUPAC name chemrof:IUPAC_name 5,5-dimethylcyclohexane-1,3-dione
Molecular formula chemrof:molecular_formula C8H12O2
Molecular mass chemrof:molecular_mass 140.182
Monoisotopic mass chemrof:monoisotopic_mass 140.08373
SMILES string chemrof:smiles_string CC1(C)CC(=O)CC(=O)C1

Known URLs

13

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=126-81-8 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.004.369 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID8021987 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=14984 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=17544 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=242994 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=43759 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/B2B5DSX2FC enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0251369 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.014A enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/31358 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q418261 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Dimedone enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
9cde20f9-a4ba-4d90-a047-a31e977cb920 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
4ec484ef-d088-4388-afd4-f0dd75adbacd Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
c4d4aa3e-1b11-4dd9-bd74-cb95bb679182 Environmental → Air → Indoor EF 3.1 kg 2
9b4bf41b-7020-49d4-bda7-44b1f7d54416 Environmental → Air → Long-term EF 3.1 kg 0
8a98708e-510f-47d5-9b50-4768ca8161eb Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
d3da2d7a-4300-452b-ae44-fdf51fd35d69 Environmental → Air → Unknown EF 3.1 kg 2
140b0f68-70e0-4e18-895d-b3a508903078 Environmental → Ground → Agricultural EF 3.1 kg 2
21b50beb-e4ca-4c02-9b5f-1f4bfaf15fb0 Environmental → Ground → Non-agricultural EF 3.1 kg 2
e8ed459f-cff6-43d7-bc6f-9fc89c88901c Environmental → Ground → Unknown EF 3.1 kg 2
0bb20e77-49c8-4e42-b679-9e2748c3b81a Environmental → Water → Long-term EF 3.1 kg 0
ee58b525-bb8a-437c-b45e-6edf7cd634e9 Environmental → Water → Ocean EF 3.1 kg 2
9faa07be-0a1f-42ba-a123-c815a968295b Environmental → Water → Surface water EF 3.1 kg 2
9a0eeace-c6bb-4232-aba2-a8195f3e86ff Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON 
{
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  "altLabel": [
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