2-tert-butyl-4-methylphenol

2-(1,1-Dimethylethyl)-4-methylphenol
2-tert-Butyl-4-cresol
2-tert-Butyl-p-cresol
4-Methyl-2-(1,1-dimethylethyl)phenol
4-Methyl-2-tert-butylphenol
4-Methyl-6-tert-butylphenol
6-tert-Butyl-4-methylphenol
o-tert-Butyl-p-cresol
p-Cresol, 2-tert-butyl-
Phenol, 2-(1,1-dimethylethyl)-4-methyl-

Property	Value
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

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	https://www.wikidata.org/wiki/Q27294416	enrich_references.pubchem_identifier_url

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

Everything that changed this substance (54 changes)

Open the changes page

Flow object JSON

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    "http://semanticscience.org/resource/CHEMINF_000447": {
      "@value": [
        "219-314-6"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=219-314-6"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "ec_numbers"
      }
    }
  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works

2-tert-butyl-4-methylphenol

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

History

Full record

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