4-heptylphenol

Phenol, heptyl derivs.

Property	Value
InChI2D key string chemrof:inchi2d_key_string	KNDDEFBFJLKPFE-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C13H20O/c1-2-3-4-5-6-7-12-8-10-13(14)11-9-12/h8-11,14H,2-7H2,1H3
IUPAC name chemrof:IUPAC_name	4-heptylphenol
Molecular formula chemrof:molecular_formula	C13H20O
Molecular mass chemrof:molecular_mass	192.302
Monoisotopic mass chemrof:monoisotopic_mass	192.151415
SMILES string chemrof:smiles_string	CCCCCCCc1ccc(O)cc1

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=72624-02-3	enrich_references.consensus_cas_link

Flow	Context	Source	Unit	CFs
b2209f9b-6da2-441d-836f-343ea8e45f98	Environmental → Air → Aircraft cruise height	EF 3.1	kg	4
48166006-b49b-4fb1-8766-bbf87ceda0ac	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	4
6b169b02-e782-4f57-ae1a-e35c2ed7dbb6	Environmental → Air → Indoor	EF 3.1	kg	4
f189b316-11df-4f4d-9a7a-a20cb73ec26f	Environmental → Air → Long-term	EF 3.1	kg	0
812a96a4-061f-466c-9c56-ac10f37e48f1	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	4
35f3d9c4-fbe6-4d66-aa86-8839f001eef9	Environmental → Air → Unknown	EF 3.1	kg	4
94fd0344-2ceb-447f-9772-df7a9fcd4169	Environmental → Ground → Agricultural	EF 3.1	kg	4
5cc93a65-4dcd-4e6c-a848-8f290557be46	Environmental → Ground → Non-agricultural	EF 3.1	kg	4
ba88549c-55a7-4c98-a5c5-a5f2415c8786	Environmental → Ground → Unknown	EF 3.1	kg	4
88250181-ad35-4d96-b373-0e79d5366c79	Environmental → Water → Long-term	EF 3.1	kg	0
df1b48fc-11d5-4fb6-b38d-c41b5dc464d8	Environmental → Water → Ocean	EF 3.1	kg	4
e207a86d-f7e0-4ab2-9793-e77c9c3e67af	Environmental → Water → Surface water	EF 3.1	kg	4
8ca60955-c8d6-4a59-9c2a-6bee411d1013	Environmental → Water → Unknown	EF 3.1	kg	4

Everything that changed this substance (51 changes)

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Flow object JSON

{
  "flow_object_id": "fo-24920a53fe93db19",
  "prefLabel": [
    {
      "@value": "4-heptylphenol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "Phenol, heptyl derivs.",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
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  ],
  "properties": {
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      "@value": [
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      "provenance": {
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    "https://w3id.org/chemrof/inchi2d_string": {
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      "rdfs:label": "InChI",
      "@value": [
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      }
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "rdfs:label": "InChIKey",
      "@value": [
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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_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "rdfs:label": "Molecular formula",
      "@value": [
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      ],
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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          "CCCCCCCc1ccc(O)cc1"
        ]
      },
      "attested_by": {
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    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "rdfs:label": "Molecular mass",
      "@value": [
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      ],
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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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": {
      "@id": "https://w3id.org/chemrof/monoisotopic_mass",
      "rdfs:label": "Monoisotopic mass",
      "@value": [
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      ],
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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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"
    }
  },
  "references": [
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      "@id": "https://commonchemistry.cas.org/detail?cas_rn=72624-02-3",
      "provenance": {
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        "prov:wasDerivedFrom": "cas_numbers"
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  "created_from": {
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    "seed_uuid": "35f3d9c4-fbe6-4d66-aa86-8839f001eef9",
    "seed_source": "EF 3.1",
    "semantic_typing": {
      "rule": "neutral_molecule",
      "reason": "",
      "types": [
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      "provenance": {
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        "prov:wasDerivedFrom": "semantic_typing.rule.neutral_molecule"
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  },
  "classifications": {
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      "rdfs:seeAlso": [
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      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
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        "prov:wasDerivedFrom": "ec_numbers"
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  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

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4-heptylphenol

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

History

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