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2,5,6-trimethylcyclohex-2-en-1-one

fo-645e6cbdfea75d70

Identity

Type
Neutral molecule
CAS
20030-30-2
EC
243-473-0
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 2,5,6-trimethylcyclohex-2-en-1-one

Alternative labels

4

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string QAQCUBLNHBKTRM-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C9H14O/c1-6-4-5-7(2)9(10)8(6)3/h5-6,8H,4H2,1-3H3
IUPAC name chemrof:IUPAC_name 2,5,6-trimethylcyclohex-2-en-1-one
Molecular formula chemrof:molecular_formula C9H14O
Molecular mass chemrof:molecular_mass 138.21
Monoisotopic mass chemrof:monoisotopic_mass 138.104465
SMILES string chemrof:smiles_string CC1=CCC(C)C(C)C1=O

Known URLs

6

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=20030-30-2 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.039.506 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID80885110 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J280.425E enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/89264 enrich_references.pubchem_compound
Wikidata https://www.wikidata.org/wiki/Q82863732 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
e4835803-86a0-49d1-94ed-01170d2022bb Environmental → Air → Aircraft cruise height EF 3.1 kg 4
bcd9604c-fda0-4678-9568-3fece9b3f738 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
6f6dd1da-21f5-4e46-b52d-24687a8c1dd1 Environmental → Air → Indoor EF 3.1 kg 4
eca7bf28-cb74-4873-a889-be84273cda6b Environmental → Air → Long-term EF 3.1 kg 0
9c1d62cb-c091-4ef9-8ec7-ef83217fde6f Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
436738e3-a1c8-49ac-9438-fbc65baae430 Environmental → Air → Unknown EF 3.1 kg 4
9acbf196-2b63-4601-83e8-b049d4c55b52 Environmental → Ground → Agricultural EF 3.1 kg 4
42876859-fda9-4e29-a3d4-e0594c4a6d1e Environmental → Ground → Non-agricultural EF 3.1 kg 4
5add9ef2-801f-4889-be59-be531336263a Environmental → Ground → Unknown EF 3.1 kg 4
f6be39dd-44dc-4139-90e2-f72f03332311 Environmental → Water → Long-term EF 3.1 kg 0
feeca756-03c1-4141-8f58-b984fa37b8ab Environmental → Water → Ocean EF 3.1 kg 4
3a5c0ded-aabf-4f48-9b99-ae9d342eab71 Environmental → Water → Surface water EF 3.1 kg 4
0bc49924-d7cf-4d6a-a31d-113fac712d10 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-645e6cbdfea75d70",
  "prefLabel": [
    {
      "@value": "2,5,6-trimethylcyclohex-2-en-1-one",
      "@language": "en",
      "@lang": "en",
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        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "2,3,6-Trimethyl-5-cyclohexen-1-one",
      "@language": "en",
      "@lang": "en",
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      }
    },
    {
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    },
    {
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    },
    {
      "@value": "2-Cyclohexen-1-one, 2,5,6-trimethyl-",
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}

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