Brightway Flows 1.0
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Cyclohexyl 2-hydroxybenzoate

fo-2c78b4d75b13ec13

Identity

Type
Neutral molecule
CAS
25485-88-5
EC
400-410-3
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for Cyclohexyl 2-hydroxybenzoate

Alternative labels

3

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string NUQDJSMHGCTKNL-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C13H16O3/c14-12-9-5-4-8-11(12)13(15)16-10-6-2-1-3-7-10/h4-5,8-10,14H,1-3,6-7H2
IUPAC name chemrof:IUPAC_name Cyclohexyl 2-hydroxybenzoate
Molecular formula chemrof:molecular_formula C13H16O3
Molecular mass chemrof:molecular_mass 220.268
Monoisotopic mass chemrof:monoisotopic_mass 220.109944
SMILES string chemrof:smiles_string O=C(OC1CCCCC1)c1ccccc1O

Known URLs

9

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=25485-88-5 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.100.243 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.113.230 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID2051928 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=406675 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/T78SEL6WEF enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J354.749C enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/101330 enrich_references.pubchem_compound
Wikidata https://www.wikidata.org/wiki/Q63398147 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
93fc0fa9-4555-4bb4-a093-b3530bd97f15 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
7489a70f-a0cf-41f7-8d72-1c7b89dcd97a Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
10a2c45c-9d60-473f-95b0-9e912135610a Environmental → Air → Indoor EF 3.1 kg 4
9ee196b1-5d0b-462b-9647-300e0658fe13 Environmental → Air → Long-term EF 3.1 kg 0
c6aff291-191e-4d42-880c-c7142836680d Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
d31309c4-5595-4e41-98e1-ec4eb0abcb5b Environmental → Air → Unknown EF 3.1 kg 4
4c90f95c-79e9-4453-a122-92b6cae92818 Environmental → Ground → Agricultural EF 3.1 kg 4
464db5c0-3d5f-4a30-9d15-59aa91fdf830 Environmental → Ground → Non-agricultural EF 3.1 kg 4
b55aa5ef-a748-4055-b0f9-787ab3f35cdd Environmental → Ground → Unknown EF 3.1 kg 4
a46ad7d8-0ec5-4a33-8a20-6ceda2e6a923 Environmental → Water → Long-term EF 3.1 kg 0
884d803e-5d6c-4543-abb5-e03fac636cb8 Environmental → Water → Ocean EF 3.1 kg 4
6134282a-4bcd-433b-a681-6e63405100d2 Environmental → Water → Surface water EF 3.1 kg 4
9243ba8a-6496-43af-9831-b1d1f7116cd8 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-2c78b4d75b13ec13",
  "prefLabel": [
    {
      "@value": "Cyclohexyl 2-hydroxybenzoate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "Benzoic acid, 2-hydroxy-, cyclohexyl ester",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CAS:25485-88-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=25485-88-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Cyclohexyl salicylate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CAS:25485-88-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=25485-88-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Salicylic acid, cyclohexyl ester",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
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          "https://commonchemistry.cas.org/detail?cas_rn=25485-88-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
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      "@value": [
        "C13H16O3"
      ],
      "attested_by": {
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          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "Molecular formula",
      "provenance": [
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      "rdfs:label": "InChI",
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      "provenance": {
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        "prov:hadPrimarySource": [
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      },
      "attested_by": {
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    },
    "https://w3id.org/chemrof/molecular_mass": {
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      "rdfs:label": "Molecular mass",
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      ],
      "provenance": [
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          ]
        },
        {
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      ],
      "attested_by": {
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      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
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      "rdfs:label": "Monoisotopic mass",
      "@value": [
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          "prov:hadPrimarySource": [
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          ]
        }
      ],
      "attested_by": {
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          "rdkit_post_consensus",
          "rdkit_pre_consensus"
        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    }
  },
  "references": [
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  ],
  "created_from": {
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    "seed_uuid": "10a2c45c-9d60-473f-95b0-9e912135610a",
    "seed_source": "EF 3.1",
    "semantic_typing": {
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  "@type": [
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  ]
}

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