Consensus flow list

Identity

Type
NeutralMolecule
CAS
106-44-5
EC
203-398-6
Origin
EF 3.1 hybrid_name_cas_v1
Changes
58 across every transformer

Structure

Structure diagram for Para-cresol

What it is used for

2

Roles, not types. A substance bears as many as apply — sulfluramid is an insecticide and an acaricide — and each is a class ChEBI curates, asserted with ChEBI’s own has role. The narrow ones publish the broad ones alongside them, so a substance filed as a herbicide is a pesticide here too. See agricultural chemicals for what the axis is and which classes are published.

Role Definition Evidence
fungicide CHEBI:24127 A substance used to destroy fungal pests. ChEBI
pesticide CHEBI:25944 Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests. ChEBI

Alternative labels

14

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string IWDCLRJOBJJRNH-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C7H8O/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3
IUPAC name chemrof:IUPAC_name Para-cresol
Molecular formula chemrof:molecular_formula C7H8O
Molecular mass chemrof:molecular_mass 108.14
Monoisotopic mass chemrof:monoisotopic_mass 108.05751, 108.057515
SMILES string chemrof:smiles_string Cc1ccc(O)cc1

Known URLs

38

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=106-44-5 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=27289-34-5 enrich_references.pubchem_identifier_url
cdc.gov https://www.cdc.gov/niosh-rtecs/GO62CCF8.html enrich_references.pubchem_identifier_url
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:17847 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.003.090 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0031 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID7021869 enrich_references.pubchem_identifier_url
DrugBank https://go.drugbank.com/drugs/DB01688 enrich_references.chebi_xrefs
drugbank.ca https://www.drugbank.ca/drugs/DB01688 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=3696 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=756709 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=95259 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL16645 enrich_references.pubchem_identifier_url
femaflavor.org https://www.femaflavor.org/flavor-library/p-cresol enrich_references.pubchem_identifier_url
gmelin gmelin:2779 enrich_references.chebi_xrefs
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/1MXY2UM8NV enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0001858 enrich_references.chebi_xrefs
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.185A enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C01468 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C01468 enrich_references.pubchem_identifier_url
knapsack knapsack:C00002645 enrich_references.chebi_xrefs
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=37894 enrich_references.pubchem_identifier_url
MetaCyc https://metacyc.org/compound?orgid=META&id=CPD-108 enrich_references.chebi_xrefs
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C61880 enrich_references.pubchem_identifier_url
pdb-ccd pdb-ccd:PCR enrich_references.chebi_xrefs
pharos.nih.gov https://pharos.nih.gov/ligands/8HBUAKMT3JC1 enrich_references.pubchem_identifier_url
platform.opentargets.org https://platform.opentargets.org/drug/CHEMBL16645 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/2879 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#2076 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#3455 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=017740 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/12427124 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/17660685 enrich_references.chebi_xrefs
reaxys reaxys:1305151 enrich_references.chebi_xrefs
umbbd.compound umbbd.compound:c0127 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q312251 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/P-Cresol enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/P-cresol enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
4d9a8790-3ddd-11dd-909c-0050c2490048 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
4d9a8790-3ddd-11dd-909a-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
5d54c6d6-be38-4eea-aa16-ee1c5a0fda61 Environmental → Air → Indoor EF 3.1 kg 4
4d9a8790-3ddd-11dd-9099-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 0
4d9a8790-3ddd-11dd-909b-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
4d9a8790-3ddd-11dd-9098-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 4
f21438e5-6555-11dd-ad8b-0800200c9a66 Environmental → Ground → Agricultural EF 3.1 kg 4
f21438e7-6555-11dd-ad8b-0800200c9a66 Environmental → Ground → Non-agricultural EF 3.1 kg 4
f21438e9-6555-11dd-ad8b-0800200c9a66 Environmental → Ground → Unknown EF 3.1 kg 4
f21438eb-6555-11dd-ad8b-0800200c9a66 Environmental → Water → Long-term EF 3.1 kg 0
f21438e8-6555-11dd-ad8b-0800200c9a66 Environmental → Water → Ocean EF 3.1 kg 4
f21438e6-6555-11dd-ad8b-0800200c9a66 Environmental → Water → Surface water EF 3.1 kg 4
f21438ea-6555-11dd-ad8b-0800200c9a66 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (58 changes)

Open the changes page

Full record

Flow object JSON
{
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