Consensus flow list

Identity

Type
NeutralMolecule
CAS
118-56-9
EC
204-260-8
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for 3,3,5-trimethylcyclohexyl Salicylate

Alternative labels

18

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string WSSJONWNBBTCMG-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C16H22O3/c1-11-8-12(10-16(2,3)9-11)19-15(18)13-6-4-5-7-14(13)17/h4-7,11-12,17H,8-10H2,1-3H3
IUPAC name chemrof:IUPAC_name 3,3,5-trimethylcyclohexyl Salicylate
Molecular formula chemrof:molecular_formula C16H22O3
Molecular mass chemrof:molecular_mass 262.349
Monoisotopic mass chemrof:monoisotopic_mass 262.15689, 262.156895
SMILES string chemrof:smiles_string CC1CC(OC(=O)c2ccccc2O)CC(C)(C)C1

Known URLs

20

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=118-56-9 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:91642 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.003.874 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID1026241 enrich_references.pubchem_identifier_url
drugbank.ca https://www.drugbank.ca/drugs/DB11064 enrich_references.pubchem_identifier_url
drugcentral drugcentral:3279 enrich_references.chebi_xrefs
drugcentral.org https://drugcentral.org/drugcard/3279 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=164918 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=758908 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1377575 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/V06SV4M95S enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0253209 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J5.301E enrich_references.pubchem_identifier_url
kegg.jp https://www.kegg.jp/entry/D04450 enrich_references.pubchem_identifier_url
lincs.smallmolecule lincs.smallmolecule:LSM-1475 enrich_references.chebi_xrefs
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=152431 enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C83760 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/8362 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q2260189 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Homosalate enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
02293ae7-4aa0-449a-9885-8ea7f2e5e6c5 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
626c100c-5086-4d30-a8d1-f742cb779efc Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
fa64c53c-6e47-4dc4-8beb-684f3ef374f9 Environmental → Air → Indoor EF 3.1 kg 4
5238cb99-e386-4d57-906d-4fd909a4564f Environmental → Air → Long-term EF 3.1 kg 0
a16c0970-1b8e-40fd-9775-dee8f9e33158 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
64970eef-5a43-411f-85e2-802e0ac34155 Environmental → Air → Unknown EF 3.1 kg 4
f2df74d4-8859-49a7-893c-22a040cf98bb Environmental → Ground → Agricultural EF 3.1 kg 4
44b22bb7-da0d-432e-a606-823195753fa4 Environmental → Ground → Non-agricultural EF 3.1 kg 4
f796ad69-9c05-42c3-af33-b53ed4e9bf08 Environmental → Ground → Unknown EF 3.1 kg 4
3e6fd49e-684c-4b6c-b38b-854c20801307 Environmental → Water → Long-term EF 3.1 kg 0
00f07e64-ab43-4f00-a1cd-2b4c002cd9bf Environmental → Water → Ocean EF 3.1 kg 4
c3b3686e-4927-42bc-9a0a-15fcae4b7f83 Environmental → Water → Surface water EF 3.1 kg 4
63ef2d3c-5ada-4da7-ab0a-88dd87593b65 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-ad7656dc378bef30",
  "prefLabel": [
    {
      "@value": "3,3,5-trimethylcyclohexyl Salicylate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "3,3,5-Trimethylcyclohexyl 2-hydroxybenzoate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzoic acid, 2-hydroxy-, 3,3,5-trimethylcyclohexyl ester",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Cyclohexanol, 3,3,5-trimethyl-, salicylate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Escalol HMS",
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      "@lang": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Eusolex HMS",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Filtrosol A",
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      }
    },
    {
      "@value": "Heliopan",
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      }
    },
    {
      "@value": "Heliopan HMS",
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        ],
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      }
    },
    {
      "@value": "Heliophan",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "homomenthyl salicylate",
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Homosalate",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "kemester",
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    },
    {
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        ],
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      }
    },
    {
      "@value": "Neo Heliopan",
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    },
    {
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    },
    {
      "@value": "Parsol HMS",
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        ],
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      }
    },
    {
      "@value": "Salicylic acid, 3,3,5-trimethylcyclohexyl ester",
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      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Uniderm Homsal",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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  ],
  "properties": {
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