Consensus flow list

1-methylcyclohexanecarboxylic Acid

fo-fa68e6f252abf581

Identity

Type
NeutralMolecule
CAS
1123-25-7
EC
214-371-3
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 1-methylcyclohexanecarboxylic Acid

Alternative labels

4

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string REHQLKUNRPCYEW-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C8H14O2/c1-8(7(9)10)5-3-2-4-6-8/h2-6H2,1H3,(H,9,10)
IUPAC name chemrof:IUPAC_name 1-methylcyclohexanecarboxylic Acid
Molecular formula chemrof:molecular_formula C8H14O2
Molecular mass chemrof:molecular_mass 142.198
Monoisotopic mass chemrof:monoisotopic_mass 142.09938
SMILES string chemrof:smiles_string CC1(C(=O)O)CCCCC1

Known URLs

7

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=1123-25-7 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.013.066 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID10149979 enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0243938 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J135.794H enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/70744 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q83015860 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
52135fdd-e609-4f7d-8904-4ffe14a9bc15 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
1525d637-5358-42a7-b91a-28068aca95fa Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
c4a3d324-6b95-4e32-9a7a-27e5e67735f5 Environmental → Air → Indoor EF 3.1 kg 2
490bfdb8-e5ba-4e20-abcb-e1512cfdc666 Environmental → Air → Long-term EF 3.1 kg 0
69664817-a110-461f-94fa-09e1b2aacd8c Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
a08ce058-82d0-4c60-9dcc-38bbe3697076 Environmental → Air → Unknown EF 3.1 kg 2
01af1428-8e04-498a-8028-dc224082c6ff Environmental → Ground → Agricultural EF 3.1 kg 2
fa64c5ed-efb5-4601-9de3-57e5a6592513 Environmental → Ground → Non-agricultural EF 3.1 kg 2
4fde9a52-48bc-437b-a521-c77de2c3c4e7 Environmental → Ground → Unknown EF 3.1 kg 2
8e3ad405-258e-4e25-9e70-15112d5c8648 Environmental → Water → Long-term EF 3.1 kg 0
87862c55-2bc5-437e-a94d-bf5c33767488 Environmental → Water → Ocean EF 3.1 kg 2
4133b486-6cfa-4511-8739-cf1c0a2b4353 Environmental → Water → Surface water EF 3.1 kg 2
d6bd7e06-597a-4c57-b714-e4649a6122e5 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-fa68e6f252abf581",
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  ],
  "altLabel": [
    {
      "@value": "1-Methyl-1-cyclohexanecarboxylic acid",
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      "@value": "1-Methylcyclohexan-1-carboxylic acid",
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    },
    {
      "@value": "1-Methylcyclohexylcarboxylic acid",
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    },
    {
      "@value": "Cyclohexanecarboxylic acid, 1-methyl-",
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}

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