Consensus flow list

Identity

Type
Neutral molecule
CAS
2409-55-4
EC
219-314-6
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 2-tert-butyl-4-methylphenol

Alternative labels

10

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string IKEHOXWJQXIQAG-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C11H16O/c1-8-5-6-10(12)9(7-8)11(2,3)4/h5-7,12H,1-4H3
IUPAC name chemrof:IUPAC_name 2-tert-butyl-4-methylphenol
Molecular formula chemrof:molecular_formula C11H16O
Molecular mass chemrof:molecular_mass 164.248
Monoisotopic mass chemrof:monoisotopic_mass 164.120115
SMILES string chemrof:smiles_string Cc1ccc(O)c(C(C)(C)C)c1

Known URLs

11

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=2409-55-4 enrich_references.consensus_cas_link
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=25567-40-2 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.017.559 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.042.811 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID2020212 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=60301 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL281976 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/Y9VVU7G7J4 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J48.502K enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/17004 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27294416 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
b8440e46-6d0a-41c0-95d6-8e152d0882d6 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
ae1c293d-2c1e-4301-8790-05b85a293361 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
888ebcce-7715-45ca-867b-eaffdef275e0 Environmental → Air → Indoor EF 3.1 kg 2
d6e083a3-efa1-4b2b-a866-9ad563f069ba Environmental → Air → Long-term EF 3.1 kg 0
f25d10e8-79f1-4799-a7ca-48375ea71286 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
e2217fe9-bcf7-4940-868b-534ba604ec1b Environmental → Air → Unknown EF 3.1 kg 2
6e904da1-f9a9-4aad-8ce7-19b8693d8345 Environmental → Ground → Agricultural EF 3.1 kg 2
18f4e9a2-e16f-4556-9954-0b8b4632a030 Environmental → Ground → Non-agricultural EF 3.1 kg 2
0975bdf5-ac9d-4c0d-9c89-4d61478fb284 Environmental → Ground → Unknown EF 3.1 kg 2
65228848-f60e-4880-8421-6c1e5b935c55 Environmental → Water → Long-term EF 3.1 kg 0
b7ffd729-0ef6-410a-abc6-d97aacb2bdf1 Environmental → Water → Ocean EF 3.1 kg 2
4ece48cf-1e9c-4236-8b3a-cfb2c3554590 Environmental → Water → Surface water EF 3.1 kg 2
5f1e1c79-b552-4b2a-a222-178ad535c97d Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-663133c45d291a1d",
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  "altLabel": [
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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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