Consensus flow list

Identity

Type
Neutral molecule
CAS
2655-19-8
EC
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for 3,5-bis(tert-butyl)phenol Methylcarbamate

Alternative labels

8

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string SLZWBCGZQRRUNG-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C16H25NO2/c1-15(2,3)11-8-12(16(4,5)6)10-13(9-11)19-14(18)17-7/h8-10H,1-7H3,(H,17,18)
IUPAC name chemrof:IUPAC_name 3,5-bis(tert-butyl)phenol Methylcarbamate
Molecular formula chemrof:molecular_formula C16H25NO2
Molecular mass chemrof:molecular_mass 263.381
Monoisotopic mass chemrof:monoisotopic_mass 263.188529, 263.18853
SMILES string chemrof:smiles_string CNC(=O)Oc1cc(C(C)(C)C)cc(C(C)(C)C)c1

Known URLs

10

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=2655-19-8 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:82089 enrich_references.chebi_id_link
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID0041690 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/48SLE5Y118 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J7.642B enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C18949 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C18949 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/17564 enrich_references.pubchem_compound
vsdb vsdb:1588 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q27155741 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
6ba705dc-6860-4374-9888-0fb8856abc4d Environmental → Air → Aircraft cruise height EF 3.1 kg 2
8d5c14d1-4b67-4946-afe3-517b244ddc86 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
c0a2f6ea-6177-4e00-b494-a698cc1889e0 Environmental → Air → Indoor EF 3.1 kg 2
511e383b-d6a1-49b1-ab9b-d6e316e26675 Environmental → Air → Long-term EF 3.1 kg 0
05a324dc-41fb-4b44-9157-0ee0ffd7e26d Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
51f4d179-9fb5-4f40-bc7d-eeadb173af86 Environmental → Air → Unknown EF 3.1 kg 2
b60f9b79-2594-4ec1-b5a8-5be4692e6d01 Environmental → Ground → Agricultural EF 3.1 kg 2
d9baaaa7-2288-4532-80b0-b6f918e819b6 Environmental → Ground → Non-agricultural EF 3.1 kg 2
6b04c12a-988e-4717-92b2-bdd0b05e193e Environmental → Ground → Unknown EF 3.1 kg 2
cbca6194-d906-4da7-923c-710afa056e6b Environmental → Water → Long-term EF 3.1 kg 0
68d6e5d4-48be-4a75-810d-7208b7dbd7c4 Environmental → Water → Ocean EF 3.1 kg 2
5a1c6a1c-67a1-437a-9744-1cb56fa48ef3 Environmental → Water → Surface water EF 3.1 kg 2
2e6e2fa7-eeed-4e00-a57d-3e44e962872d Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON
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      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=2655-19-8"
        }
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    }
  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

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