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Benzyl Benzoate

fo-9933af8829a67585

Identity

Type
Neutral molecule
CAS
120-51-4
EC
204-402-9
Origin
EF 3.1 hybrid_name_cas_v1
Changes
57 across every transformer

Structure

Structure diagram for Benzyl Benzoate

What it is used for

2

Roles, not types. A substance bears as many as apply — sulfluramid is an insecticide and an acaricide — and each is a class ChEBI curates, asserted with ChEBI’s own has role. The narrow ones publish the broad ones alongside them, so a substance filed as a herbicide is a pesticide here too. See agricultural chemicals for what the axis is and which classes are published.

Role Definition Evidence
acaricide CHEBI:22153 A substance used to destroy pests of the subclass Acari (mites and ticks). ChEBI
pesticide CHEBI:25944 Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests. ChEBI

Alternative labels

24

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string SESFRYSPDFLNCH-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C14H12O2/c15-14(13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12/h1-10H,11H2
IUPAC name chemrof:IUPAC_name Benzyl Benzoate
Molecular formula chemrof:molecular_formula C14H12O2
Molecular mass chemrof:molecular_mass 212.248
Monoisotopic mass chemrof:monoisotopic_mass 212.08373
SMILES string chemrof:smiles_string O=C(OCc1ccccc1)c1ccccc1

Known URLs

41

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
beilstein beilstein:2049280 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=120-51-4 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:41237 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.004.003 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0390 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID8029153 enrich_references.pubchem_identifier_url
DrugBank https://go.drugbank.com/drugs/DB00676 enrich_references.chebi_xrefs
drugbank.ca https://www.drugbank.ca/drugs/DB00676 enrich_references.pubchem_identifier_url
drugcentral drugcentral:335 enrich_references.chebi_xrefs
drugcentral.org https://drugcentral.org/drugcard/335 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=758204 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=8081 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1239 enrich_references.pubchem_identifier_url
femaflavor.org https://www.femaflavor.org/flavor-library/benzyl-benzoate enrich_references.pubchem_identifier_url
gmelin gmelin:261816 enrich_references.chebi_xrefs
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/N863NB338G enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0014814 enrich_references.chebi_xrefs
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J5.327I enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/D01138 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C12537 enrich_references.pubchem_identifier_url
kegg.jp https://www.kegg.jp/entry/D01138 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=42991 enrich_references.pubchem_identifier_url
MetaCyc https://metacyc.org/compound?orgid=META&id=CPD-6443 enrich_references.chebi_xrefs
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C65255 enrich_references.pubchem_identifier_url
pdb-ccd pdb-ccd:BZM enrich_references.chebi_xrefs
pharmgkb.org https://www.pharmgkb.org/chemical/PA164748881 enrich_references.pubchem_identifier_url
platform.opentargets.org https://platform.opentargets.org/drug/CHEMBL1239 enrich_references.pubchem_identifier_url
ppdb ppdb:1473 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/2345 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=018031 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/18247142 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/19681271 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24146308 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24520907 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24761672 enrich_references.chebi_xrefs
reaxys reaxys:2049280 enrich_references.chebi_xrefs
rxnav.nlm.nih.gov https://rxnav.nlm.nih.gov/id/rxnorm/19044 enrich_references.pubchem_identifier_url
vsdb vsdb:1473 enrich_references.chebi_xrefs
Wikidata https://www.wikidata.org/wiki/Q413755 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Benzyl_Benzoate enrich_references.chebi_xrefs
Wikipedia https://en.wikipedia.org/wiki/Benzyl_benzoate enrich_references.pubchem_identifier_url

Elementary flows

14
Flow Context Source Unit CFs
f2b7aff1-02c7-43d0-9b48-74d245e309ab Environmental → Air → Aircraft cruise height EF 3.1 kg 2
9ed7f4f4-f686-43fc-a2fc-4350b3369815 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
173f569b-8221-4a6f-bfce-f1cc312b2b18 Environmental → Air → Indoor EF 3.1 kg 2
25827a8a-4c44-4d5f-b910-993730a56420 Environmental → Air → Long-term EF 3.1 kg 0
6ace1b19-b6d4-4e96-8052-160f069266b0 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
be32d826-709b-4996-b4d3-ff67367ab239 Environmental → Air → Unknown EF 3.1 kg 2
d2557479-6d0f-4907-a8bd-21ae1b245d80 Environmental → Ground → Agricultural EF 3.1 kg 2
42d1d061-f130-4542-80b0-82b57d1593f8 Environmental → Ground → Non-agricultural EF 3.1 kg 2
6bc5f0e95373e959fc609db4f1c4166091dc3be6 Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
48d3b325-7068-4642-af81-023169ed7740 Environmental → Ground → Unknown EF 3.1 kg 2
8b32c673-e6f3-41f2-ae05-0650d1fd53e1 Environmental → Water → Long-term EF 3.1 kg 0
b1491bc3-0493-4822-9722-52872e36ed65 Environmental → Water → Ocean EF 3.1 kg 2
54e1c5db-4e20-4ce4-b94d-ccd41632d6ba Environmental → Water → Surface water EF 3.1 kg 2
172bbcbe-c2a5-4dc6-adb9-dc002c861bda Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (57 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-9933af8829a67585",
  "prefLabel": [
    {
      "@value": "Benzyl Benzoate",
      "@language": "en",
      "@lang": "en",
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  "altLabel": [
    {
      "@value": "Ascabin",
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        ],
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      }
    },
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      "@value": "Ascabiol",
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          "https://commonchemistry.cas.org/detail?cas_rn=120-51-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benylate",
      "@language": "en",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "BENZOIC ACID PHENYLMETHYLESTER",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "benzoic acid, benzyl ester",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "benzoic acid, phenylmethyl ester",
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        ],
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      }
    },
    {
      "@value": "Benzyl benzenecarboxylate",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzyl phenylformate",
      "@language": "en",
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      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzylets",
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      "@lang": "en",
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=120-51-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzyloxy phenyl ketone",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Colebenz",
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          "https://commonchemistry.cas.org/detail?cas_rn=120-51-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Nicca Sunsolt LM 7EX",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=120-51-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Novoscabin",
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      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=120-51-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Pelemol B66",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "https://commonchemistry.cas.org/detail?cas_rn=120-51-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Peruscabin",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=120-51-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "phenylmethyl benzoate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Scabagen",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:120-51-4",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=120-51-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Scabanca",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:120-51-4",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=120-51-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Scabcare BB",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:120-51-4",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=120-51-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Scabide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=120-51-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Scabiozon",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:120-51-4",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=120-51-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Scobenol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=120-51-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Vanzoate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=120-51-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Venzonate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
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      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C14H12O2"
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      "attested_by": {
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      "rdfs:label": "Molecular formula",
      "provenance": [
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      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
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      "provenance": [
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    "https://w3id.org/chemrof/inchi2d_string": {
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      "rdfs:label": "InChI",
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    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
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      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=204-402-9"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "ec_numbers"
      }
    }
  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "http://www.w3.org/2004/02/skos/core#definition": [
    {
      "@value": "A benzoate ester obtained by the formal condensation of benzoic acid with benzyl alcohol. It has been isolated from the plant species of the genus Polyalthia.",
      "@language": "en",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.chebi_definition",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "http://purl.obolibrary.org/obo/CHEBI_41237"
        ],
        "prov:wasDerivedFrom": "chebi.definition"
      }
    }
  ],
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ],
  "http://purl.obolibrary.org/obo/RO_0000087": [
    {
      "@id": "http://purl.obolibrary.org/obo/CHEBI_22153",
      "rdfs:label": "acaricide",
      "http://www.w3.org/2004/02/skos/core#definition": "A substance used to destroy pests of the subclass <em>Acari</em> (mites and ticks).",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_roles",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "ChEBI"
        ],
        "prov:wasDerivedFrom": "http://semanticscience.org/resource/CHEMINF_000446 -> ChEBI RO:0000087"
      }
    },
    {
      "@id": "http://purl.obolibrary.org/obo/CHEBI_25944",
      "rdfs:label": "pesticide",
      "http://www.w3.org/2004/02/skos/core#definition": "Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests.",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_roles",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "ChEBI"
        ],
        "prov:wasDerivedFrom": "http://semanticscience.org/resource/CHEMINF_000446 -> ChEBI RO:0000087"
      }
    }
  ]
}

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You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works

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