Consensus flow list

2,4,6-trimethylphenol

fo-2954c3a827945d09

Identity

Type
Neutral molecule
CAS
527-60-6
EC
208-419-2
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for 2,4,6-trimethylphenol

Alternative labels

7

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string BPRYUXCVCCNUFE-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C9H12O/c1-6-4-7(2)9(10)8(3)5-6/h4-5,10H,1-3H3
IUPAC name chemrof:IUPAC_name 2,4,6-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(O)c(C)c1

Known URLs

16

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=527-60-6 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:196451 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.007.655 enrich_references.pubchem_identifier_url
ChemSpider https://www.chemspider.com/Chemical-Structure.10248.html enrich_references.chebi_xrefs
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID7022049 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=5353 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=68321 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL108930 enrich_references.pubchem_identifier_url
femaflavor.org https://www.femaflavor.org/flavor-library/246-trimethylphenol enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/FPZ32614N6 enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0032544 enrich_references.chebi_xrefs
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J6.671K enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=45592 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/10698 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q15725609 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Mesitol enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
1494aeb4-c9fb-4d7e-bf4b-6e033e78b73c Environmental → Air → Aircraft cruise height EF 3.1 kg 2
d488b262-8e1d-4e0f-a9de-576ff6c313c9 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
b9dd8d0e-6d81-4cb3-a0cf-056e39f0c8c9 Environmental → Air → Indoor EF 3.1 kg 2
aa42821f-ae4b-44fe-9316-8c6724925581 Environmental → Air → Long-term EF 3.1 kg 0
b9e372fc-4ec8-4632-a8f8-4d810edb98c8 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
532445b0-1d8e-44cd-99d2-5590b584ae2e Environmental → Air → Unknown EF 3.1 kg 2
735e39f6-d368-4391-a326-c677d967074e Environmental → Ground → Agricultural EF 3.1 kg 2
4699030f-bd1e-4a2d-b0a2-19be29bd0fc9 Environmental → Ground → Non-agricultural EF 3.1 kg 2
4fafbec8-6792-48d1-9b32-d90921b45411 Environmental → Ground → Unknown EF 3.1 kg 2
a5699e3f-1897-4276-b9e1-89f8a6407940 Environmental → Water → Long-term EF 3.1 kg 0
4216f697-3ced-4193-bda7-86b2f035ec2e Environmental → Water → Ocean EF 3.1 kg 2
a2025d1b-2c68-4563-8d5e-71e4cd64595e Environmental → Water → Surface water EF 3.1 kg 2
0c654d19-390b-4276-a37a-07ac3a1c47b5 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON 
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