Consensus flow list

Identity

Type
Neutral molecule
CAS
55066-48-3
EC
259-461-3
Origin
EF 3.1 hybrid_name_cas_v1
Changes
53 across every transformer

Structure

Structure diagram for 3-methyl-5-phenylpentan-1-ol

Alternative labels

7

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string OXYRENDGHPGWKV-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C12H18O/c1-11(9-10-13)7-8-12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3
IUPAC name chemrof:IUPAC_name 3-methyl-5-phenylpentan-1-ol
Molecular formula chemrof:molecular_formula C12H18O
Molecular mass chemrof:molecular_mass 178.275
Monoisotopic mass chemrof:monoisotopic_mass 178.135765
SMILES string chemrof:smiles_string CC(CCO)CCc1ccccc1

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=55066-48-3 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.054.038 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID4044822 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3185293 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/M56178H183 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J326.737G enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/108312 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q15638338 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
8174cff7-94a9-4e0e-989a-46fa308a0675 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
431114f8-7200-4fd1-9018-363e8821589c Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
cc5419d4-72c9-4ec5-b446-23a407fe7b8d Environmental → Air → Indoor EF 3.1 kg 4
1d9e88c8-a318-4042-9350-2ed6138a1e13 Environmental → Air → Long-term EF 3.1 kg 0
9a434883-3b77-4e17-94cb-9f8b25a47a6c Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
5655049e-550e-4940-ab7d-f4c3199b7d17 Environmental → Air → Unknown EF 3.1 kg 4
80e765c9-a95e-4984-84be-ee09aeefdee1 Environmental → Ground → Agricultural EF 3.1 kg 4
2a92d760-0922-42af-bcc4-4dce7c468f09 Environmental → Ground → Non-agricultural EF 3.1 kg 4
d5b0eead-7cd6-4a77-a68d-acd10a42364e Environmental → Ground → Unknown EF 3.1 kg 4
cd8d97c5-891a-4bbe-9af4-caa7ca21458f Environmental → Water → Long-term EF 3.1 kg 0
390502ae-28d6-4666-9ba9-2fe84e2d6420 Environmental → Water → Ocean EF 3.1 kg 4
53197331-8fcf-44f3-870d-653c3f841e2a Environmental → Water → Surface water EF 3.1 kg 4
4461f57e-3866-4c1a-8fdb-901e76d4c9e2 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (53 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-3cac901856d1c534",
  "prefLabel": [
    {
      "@value": "3-methyl-5-phenylpentan-1-ol",
      "@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": "3-Methyl-5-phenyl-1-pentanol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:55066-48-3",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=55066-48-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3-Methyl-5-phenylpentanol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:55066-48-3",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=55066-48-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "5-Phenyl-3-methylpentanol",
      "@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=55066-48-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzenepentanol, γ-methyl-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:55066-48-3",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=55066-48-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Mefrosol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=55066-48-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Phenoxanol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "γ-Methylbenzenepentanol",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
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        "C12H18O"
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      },
      "rdfs:label": "Molecular formula",
      "provenance": [
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    },
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    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
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    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
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      "@value": [
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    },
    "https://w3id.org/chemrof/molecular_mass": {
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      ],
      "provenance": [
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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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      "attested_by": {
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      },
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    }
  },
  "references": [
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  "@type": [
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}

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