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((3-(sec-butyl)-4-(decyloxy)phenyl)methanetriyl)tribenzene

fo-54359fdc91b1271a

Identity

Type
Neutral molecule
CAS
1404190-37-9
EC
801-941-7
Origin
EF 3.1 hybrid_name_cas_v1
Changes
53 across every transformer

Structure

Structure diagram for ((3-(sec-butyl)-4-(decyloxy)phenyl)methanetriyl)tribenzene

Alternative labels

2

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string GAXIFKVOUILVHY-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C39H48O/c1-4-6-7-8-9-10-11-21-30-40-38-29-28-36(31-37(38)32(3)5-2)39(33-22-15-12-16-23-33,34-24-17-13-18-25-34)35-26-19-14-20-27-35/h12-20,22-29,31-32H,4-11,21,30H2,1-3H3
IUPAC name chemrof:IUPAC_name ((3-(sec-butyl)-4-(decyloxy)phenyl)methanetriyl)tribenzene
Molecular formula chemrof:molecular_formula C39H48O
Molecular mass chemrof:molecular_mass 532.812
Monoisotopic mass chemrof:monoisotopic_mass 532.370516
SMILES string chemrof:smiles_string CCCCCCCCCCOc1ccc(C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1C(C)CC

Known URLs

5

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=1404190-37-9 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.228.697 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID50889302 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/129318102 enrich_references.pubchem_compound
Wikidata https://www.wikidata.org/wiki/Q82869155 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
eb1013b5-4953-43de-b81c-3c79fb92667a Environmental → Air → Aircraft cruise height EF 3.1 kg 2
baaa7220-46c6-4648-bc45-4a5af6ddda2c Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
28eaabe4-1ff8-4db0-99f8-cf15f67be27c Environmental → Air → Indoor EF 3.1 kg 2
4edb0977-9ee4-4fc1-9606-3c5556f40291 Environmental → Air → Long-term EF 3.1 kg 0
36223fe6-c101-4655-a4a4-c271301afd1f Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
f88a574d-991c-4612-961b-afbd5973fe56 Environmental → Air → Unknown EF 3.1 kg 2
311096a7-1590-444b-9308-d306301be7f1 Environmental → Ground → Agricultural EF 3.1 kg 2
1181f5ad-61fc-432c-ba70-ff2f25db43a5 Environmental → Ground → Non-agricultural EF 3.1 kg 2
9f09bd1e-56dd-4fea-8304-677d8ee3ab0f Environmental → Ground → Unknown EF 3.1 kg 2
1628ad1b-15b7-42f5-b030-8fac60682c12 Environmental → Water → Long-term EF 3.1 kg 0
b88c5800-d6c7-4de1-94ac-acb6cb3091ee Environmental → Water → Ocean EF 3.1 kg 2
ba004d8e-f5a1-4690-83ad-df945cae8cd4 Environmental → Water → Surface water EF 3.1 kg 2
c27857ee-b0ff-42a6-850e-e16849f517bf Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (53 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-54359fdc91b1271a",
  "prefLabel": [
    {
      "@value": "((3-(sec-butyl)-4-(decyloxy)phenyl)methanetriyl)tribenzene",
      "@language": "en",
      "@lang": "en",
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        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1-(Decyloxy)-2-(1-methylpropyl)-4-(triphenylmethyl)benzene",
      "@language": "en",
      "@lang": "en",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzene, 1-(decyloxy)-2-(1-methylpropyl)-4-(triphenylmethyl)-",
      "@language": "en",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
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  "properties": {
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    "https://w3id.org/chemrof/IUPAC_name": {
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    "https://w3id.org/chemrof/molecular_mass": {
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        },
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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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      ],
      "provenance": [
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          ]
        },
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        }
      ],
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  ],
  "created_from": {
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    "seed_uuid": "1181f5ad-61fc-432c-ba70-ff2f25db43a5",
    "seed_source": "EF 3.1",
    "semantic_typing": {
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      "reason": "",
      "types": [
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      "provenance": {
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  "classifications": {
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  ]
}

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