4-tert-butyltoluene

1-(1,1-Dimethylethyl)-4-methylbenzene
1-Methyl-4-(1,1-dimethylethyl)benzene
1-Methyl-4-tert-butylbenzene
1-tert-Butyl-4-methylbenzene
4-Methyl-tert-butylbenzene
4-tert-Butyl-1-methylbenzene
Benzene, 1-(1,1-dimethylethyl)-4-methyl-
p-Methyl-tert-butylbenzene
p-tert-Butyltoluene
Toluene, p-tert-butyl-

Property	Value
InChI2D key string chemrof:inchi2d_key_string	QCWXDVFBZVHKLV-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C11H16/c1-9-5-7-10(8-6-9)11(2,3)4/h5-8H,1-4H3
IUPAC name chemrof:IUPAC_name	4-tert-butyltoluene
Molecular formula chemrof:molecular_formula	C11H16
Molecular mass chemrof:molecular_mass	148.249
Monoisotopic mass chemrof:monoisotopic_mass	148.125201
SMILES string chemrof:smiles_string	Cc1ccc(C(C)(C)C)cc1

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=98-51-1	enrich_references.consensus_cas_link
cdc.gov	https://www.cdc.gov/niosh-rtecs/XS802C80.html	enrich_references.pubchem_identifier_url
chem.echa.europa.eu	https://chem.echa.europa.eu/100.002.433	enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org	https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=1068	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID1024704	enrich_references.pubchem_identifier_url
dtp.cancer.gov	https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=6589	enrich_references.pubchem_identifier_url
ebi.ac.uk	https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1489547	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/589519D43L	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J54.420E	enrich_references.pubchem_identifier_url
metabolomicsworkbench.org	https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=123541	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/7390	enrich_references.pubchem_compound
PubChem	https://pubchem.ncbi.nlm.nih.gov/erg/#2667	enrich_references.pubchem_identifier_url
Wikidata	https://www.wikidata.org/wiki/Q20972145	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
a136518b-2e17-4ca2-946e-27df95414fd5	Environmental → Air → Aircraft cruise height	EF 3.1	kg	4
3bbc0fd7-75c7-406d-8e42-c17b3b8beca4	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	4
884f0d8c-5a7e-4376-bda7-9fdb033bfc24	Environmental → Air → Indoor	EF 3.1	kg	4
6f96e3f3-d320-473b-9169-2d8ef48d7044	Environmental → Air → Long-term	EF 3.1	kg	0
e22e5b65-538b-45c5-a7ff-58589afe2cda	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	4
87f5928a-7563-45a7-a7c0-3f2549952302	Environmental → Air → Unknown	EF 3.1	kg	4
ab6d0cdd-5370-4ea2-a4c0-6f58ebd5ff60	Environmental → Ground → Agricultural	EF 3.1	kg	4
fbd14901-c685-4472-af1a-8fb8e294f3a5	Environmental → Ground → Non-agricultural	EF 3.1	kg	4
075b0dd1-3528-4fea-aa0a-ddeb3cfd0d95	Environmental → Ground → Unknown	EF 3.1	kg	4
9eb31005-f858-43ba-bb33-107549a09bf6	Environmental → Water → Long-term	EF 3.1	kg	0
bb3c3b09-91e6-43a1-8b21-4b6c8d1ffe40	Environmental → Water → Ocean	EF 3.1	kg	4
da9d9971-86a4-4abb-8a4c-7047bb311538	Environmental → Water → Surface water	EF 3.1	kg	4
ab5eb355-389e-4892-a297-0fdf4007b233	Environmental → Water → Unknown	EF 3.1	kg	4

Everything that changed this substance (55 changes)

Open the changes page

Flow object JSON

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      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=98-51-1"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=98-51-1"
        }
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    "http://semanticscience.org/resource/CHEMINF_000447": {
      "@value": [
        "202-675-9"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=202-675-9"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "brightway-flows",
        "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

4-tert-butyltoluene

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

History

Full record

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