2,3,5-trimethylphenol

1-Hydroxy-2,3,5-trimethylbenzene
3,5,6-Trimethylphenol
6-Hydroxypseudocumene
Isopseudocumenol
Phenol, 2,3,5-trimethyl-

Property	Value
Elemental charge chemrof:elemental_charge	0
InChI2D key string chemrof:inchi2d_key_string	OGRAOKJKVGDSFR-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C9H12O/c1-6-4-7(2)8(3)9(10)5-6/h4-5,10H,1-3H3
IUPAC name chemrof:IUPAC_name	2,3,5-trimethylphenol
Molecular formula chemrof:molecular_formula	C9H12O
Molecular mass chemrof:molecular_mass	136.194
Monoisotopic mass chemrof:monoisotopic_mass	136.088815, 136.08882
SMILES string chemrof:smiles_string	Cc1cc(C)c(C)c(O)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
beilstein	beilstein:2042210	enrich_references.chebi_xrefs
CAS Common Chemistry	https://commonchemistry.cas.org/detail?cas_rn=697-82-5	enrich_references.chebi_xrefs
CAS Common Chemistry	https://commonchemistry.cas.org/detail?cas_rn=70969-66-3	enrich_references.pubchem_identifier_url
ChEBI	https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:38570	enrich_references.chebi_id_link
chem.echa.europa.eu	https://chem.echa.europa.eu/100.010.735	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID3047184	enrich_references.pubchem_identifier_url
dtp.cancer.gov	https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=5296	enrich_references.pubchem_identifier_url
ebi.ac.uk	https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3182604	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/1S1061ZBQ1	enrich_references.pubchem_identifier_url
HMDB	https://hmdb.ca/metabolites/HMDB0302561	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J43.368C	enrich_references.pubchem_identifier_url
metabolomicsworkbench.org	https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=55912	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/12769	enrich_references.pubchem_compound
Wikidata	https://www.wikidata.org/wiki/Q27117905	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
12a960a9-6f4e-4898-bbc0-58427a32e9fe	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
0c2ca35e-74fb-42f9-bb12-e9894d94fcb7	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
2118bc1c-e1f9-4ca3-ba76-7567bf45c85c	Environmental → Air → Indoor	EF 3.1	kg	2
1ec53725-8a34-471e-a330-b184c81aa302	Environmental → Air → Long-term	EF 3.1	kg	0
faa0a0d6-0344-423c-851c-59a9f766cc58	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
5da539e7-75f8-4641-8678-241affa27878	Environmental → Air → Unknown	EF 3.1	kg	2
f363baf8-ceca-4cd9-9b9a-4ff4a2b0e5bd	Environmental → Ground → Agricultural	EF 3.1	kg	2
ec751110-e9ab-468f-8d8d-89f520e9847b	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
2b806101-843c-4887-a159-3cd58447327f	Environmental → Ground → Unknown	EF 3.1	kg	2
a972b869-4a53-48bb-8261-33c5c4059054	Environmental → Water → Long-term	EF 3.1	kg	0
5cb2d064-7f3c-46f0-9411-0ca9bf16fcfb	Environmental → Water → Ocean	EF 3.1	kg	2
4d480ebb-d66b-43e8-a11d-82a9b646f693	Environmental → Water → Surface water	EF 3.1	kg	2
8160c349-3e22-4910-8d6c-dd1985b3fd31	Environmental → Water → Unknown	EF 3.1	kg	2

Everything that changed this substance (56 changes)

Open the changes page

Flow object JSON

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      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=697-82-5"
        }
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    "http://semanticscience.org/resource/CHEMINF_000447": {
      "@value": [
        "211-806-9"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=211-806-9"
      ],
      "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

2,3,5-trimethylphenol

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

History

Full record

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