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2-ethylhexyl 4-aminobenzoate

fo-49454d3c6baacc4b

Identity

Type
Neutral molecule
CAS
26218-04-2
EC
420-170-3
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 2-ethylhexyl 4-aminobenzoate

Alternative labels

4

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string ZJQXUTDROPGVLH-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C15H23NO2/c1-3-5-6-12(4-2)11-18-15(17)13-7-9-14(16)10-8-13/h7-10,12H,3-6,11,16H2,1-2H3
IUPAC name chemrof:IUPAC_name 2-ethylhexyl 4-aminobenzoate
Molecular formula chemrof:molecular_formula C15H23NO2
Molecular mass chemrof:molecular_mass 249.354
Monoisotopic mass chemrof:monoisotopic_mass 249.172879
SMILES string chemrof:smiles_string CCCCC(CC)COC(=O)c1ccc(N)cc1

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=26218-04-2 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.101.888 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.121.721 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID801309631 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/7CHI67POY6 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J594.318C enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/11436614 enrich_references.pubchem_compound
Wikidata https://www.wikidata.org/wiki/Q126611154 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
93d2c91d-2ece-435d-9383-1725a8d661f9 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
1e5959cd-d6e9-461f-b775-da8aab184ae6 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
e6117519-162a-41bf-9db0-aec5f5c2eaf2 Environmental → Air → Indoor EF 3.1 kg 4
96ee6584-7cf8-4111-aeb3-cea9f9569854 Environmental → Air → Long-term EF 3.1 kg 0
e5261539-1fad-41f7-8af9-1afd2b377551 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
56f251c6-f198-4938-9efc-00696e635914 Environmental → Air → Unknown EF 3.1 kg 4
9edbe126-2e8a-4928-9fdb-23e027d539a2 Environmental → Ground → Agricultural EF 3.1 kg 4
1312ebfd-11a0-4f38-a584-9cf62f9c6351 Environmental → Ground → Non-agricultural EF 3.1 kg 4
163e37af-0f15-403b-9c98-9e75a646b944 Environmental → Ground → Unknown EF 3.1 kg 4
3c88b126-83c2-4077-b9cf-8022d3e7d619 Environmental → Water → Long-term EF 3.1 kg 0
779b6904-989b-43b1-9669-e168bec9d8b9 Environmental → Water → Ocean EF 3.1 kg 4
948adae1-3224-431a-b563-83709d6ff35d Environmental → Water → Surface water EF 3.1 kg 4
924fbcac-eb1f-449b-9287-42c02b20a1ee Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-49454d3c6baacc4b",
  "prefLabel": [
    {
      "@value": "2-ethylhexyl 4-aminobenzoate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "2-Ethylhexyl p-aminobenzoate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:26218-04-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=26218-04-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzoic acid, 4-amino-, 2-ethylhexyl ester",
      "@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=26218-04-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzoic acid, p-amino-, 2-ethylhexyl ester",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "p-Aminobenzoic acid 2-ethylhexyl ester",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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          "https://commonchemistry.cas.org/detail?cas_rn=26218-04-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
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  ],
  "properties": {
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      ],
      "attested_by": {
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      },
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    },
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      "attested_by": {
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    },
    "https://w3id.org/chemrof/molecular_mass": {
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    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
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    }
  },
  "references": [
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    },
    {
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  "created_from": {
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    "semantic_typing": {
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      "types": [
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  "classifications": {
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  "@type": [
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  ]
}

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