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1-[(9,9-dimethyldecyl)sulfanyl]propan-2-ol

fo-7968057d8f4f3fcb

Identity

Type
Neutral molecule
CAS
67124-09-8
EC
266-582-5
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 1-[(9,9-dimethyldecyl)sulfanyl]propan-2-ol

Alternative labels

2

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string XROXSXGRRMHJFJ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C15H32OS/c1-14(16)13-17-12-10-8-6-5-7-9-11-15(2,3)4/h14,16H,5-13H2,1-4H3
IUPAC name chemrof:IUPAC_name 1-[(9,9-dimethyldecyl)sulfanyl]propan-2-ol
Molecular formula chemrof:molecular_formula C15H32OS
Molecular mass chemrof:molecular_mass 260.487
Monoisotopic mass chemrof:monoisotopic_mass 260.217387
SMILES string chemrof:smiles_string CC(O)CSCCCCCCCCC(C)(C)C

Known URLs

4

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=67124-09-8 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.060.510 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/106704 enrich_references.pubchem_compound
Wikidata https://www.wikidata.org/wiki/Q126609801 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
e9e91429-dc61-4e59-86bb-966126ef6505 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
7a85ed59-ed85-4a4d-aa00-c909e3f00ed4 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
c419dfaf-96ba-4cb1-bfc1-71fc8c608628 Environmental → Air → Indoor EF 3.1 kg 4
0275d4e7-9c19-4f98-8252-6ae55650690c Environmental → Air → Long-term EF 3.1 kg 0
8a30de97-ab2c-4f76-8ec0-d49135975542 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
282c16c5-a6f9-40b8-a5ae-9163e0bc2618 Environmental → Air → Unknown EF 3.1 kg 4
6b5e505d-10bb-4832-831a-d7049a3c0434 Environmental → Ground → Agricultural EF 3.1 kg 4
225bd5ca-af05-4784-81eb-3c41aee7b376 Environmental → Ground → Non-agricultural EF 3.1 kg 4
9bd5489c-da32-46e6-8dac-08cb68aa7ef5 Environmental → Ground → Unknown EF 3.1 kg 4
b4943169-34f4-4a12-a96f-f6b7f6b60435 Environmental → Water → Long-term EF 3.1 kg 0
b512f433-d0a3-4eff-af30-f3ff984b65a4 Environmental → Water → Ocean EF 3.1 kg 4
79bfa203-48b0-4360-8173-876dc1385c73 Environmental → Water → Surface water EF 3.1 kg 4
822023d0-83de-450d-9e2b-b23bf881abcd 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-7968057d8f4f3fcb",
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    {
      "@value": "1-[(9,9-dimethyldecyl)sulfanyl]propan-2-ol",
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  ],
  "altLabel": [
    {
      "@value": "1-(tert-Dodecylthio)-2-propanol",
      "@language": "en",
      "@lang": "en",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Propanol, 1-(tert-dodecylthio)-",
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      "rdfs:label": "IUPAC name",
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    },
    "https://w3id.org/chemrof/molecular_mass": {
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      "rdfs:label": "Molecular mass",
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          ]
        },
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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",
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        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    }
  },
  "references": [
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      "provenance": {
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        "prov:wasDerivedFrom": "pubchem.identifiers[67124-09-8]"
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  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "0275d4e7-9c19-4f98-8252-6ae55650690c",
    "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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      "rdfs:seeAlso": [
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      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
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      "provenance": {
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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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