Consensus flow list

2-methylcyclohexyl Acetate

fo-2615c21234056e3c

Identity

Type
NeutralMolecule
CAS
5726-19-2
EC
227-231-1
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for 2-methylcyclohexyl Acetate

Alternative labels

3

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string AKIIJALHGMKJEJ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C9H16O2/c1-7-5-3-4-6-9(7)11-8(2)10/h7,9H,3-6H2,1-2H3
IUPAC name chemrof:IUPAC_name 2-methylcyclohexyl Acetate
Molecular formula chemrof:molecular_formula C9H16O2
Molecular mass chemrof:molecular_mass 156.225
Monoisotopic mass chemrof:monoisotopic_mass 156.11503
SMILES string chemrof:smiles_string CC(=O)OC1CCCCC1C

Known URLs

8

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=5726-19-2 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.024.756 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.217.374 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID70863609 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=109144 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J44.177E enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/98345 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q126609531 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
7cf0a9ed-761c-4589-98ca-80289181b620 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
ed170b41-8236-4a0f-bd85-a83f3ba4788c Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
f80e574a-9113-4d57-8774-075ab7df2179 Environmental → Air → Indoor EF 3.1 kg 4
fcdcfd69-84b5-459a-a274-4826e753950c Environmental → Air → Long-term EF 3.1 kg 0
ac46d7b6-a4ed-4005-aa09-a111fd4b8084 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
d8e60ebe-9f86-4f0b-a91a-0f4afd141409 Environmental → Air → Unknown EF 3.1 kg 4
055d5470-49e4-42a3-ae08-b435a05e0569 Environmental → Ground → Agricultural EF 3.1 kg 4
658c479c-5fbd-4ca7-990a-7089728ebc38 Environmental → Ground → Non-agricultural EF 3.1 kg 4
6bf420aa-6bd6-42fd-9934-0cb56c3366c7 Environmental → Ground → Unknown EF 3.1 kg 4
000fed91-7130-42db-aa99-3849e99d6ef2 Environmental → Water → Long-term EF 3.1 kg 0
142d6b4d-6102-4bd5-ba9a-b36e2ce3e1de Environmental → Water → Ocean EF 3.1 kg 4
b2cc280e-6236-4660-8e21-8e7d9ab6f57f Environmental → Water → Surface water EF 3.1 kg 4
eadbf428-a590-4a89-8c4d-1d1acd51bc38 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-2615c21234056e3c",
  "prefLabel": [
    {
      "@value": "2-methylcyclohexyl Acetate",
      "@language": "en",
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        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "Cyclohexanol, 2-methyl-, 1-acetate",
      "@language": "en",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
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    },
    {
      "@value": "Cyclohexanol, 2-methyl-, acetate",
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    },
    {
      "@value": "o-Methylcyclohexyl acetate",
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}

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