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2,3,5-trimethylhydroquinone

fo-f5ad819206ee3caf

Identity

Type
Neutral molecule
CAS
700-13-0
EC
211-838-3
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for 2,3,5-trimethylhydroquinone

Alternative labels

14

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string AUFZRCJENRSRLY-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C9H12O2/c1-5-4-8(10)6(2)7(3)9(5)11/h4,10-11H,1-3H3
IUPAC name chemrof:IUPAC_name 2,3,5-trimethylhydroquinone
Molecular formula chemrof:molecular_formula C9H12O2
Molecular mass chemrof:molecular_mass 152.193
Monoisotopic mass chemrof:monoisotopic_mass 152.08373
SMILES string chemrof:smiles_string Cc1cc(O)c(C)c(C)c1O

Known URLs

19

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=700-13-0 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:176794 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.010.764 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID7052446 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=401617 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3182864 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/GSY6340N4A enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J12.289K enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=130602 enrich_references.pubchem_identifier_url
patent patent:EP0264823 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/12785 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=220862 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=220869 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/10994872 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/30191291 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/34032869 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/6301551 enrich_references.chebi_xrefs
reaxys reaxys:1909183 enrich_references.chebi_xrefs
Wikidata https://www.wikidata.org/wiki/Q27279264 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
dbce15ce-7ac9-4b10-91ba-65b62effa3ad Environmental → Air → Aircraft cruise height EF 3.1 kg 4
af70228a-d130-4ebd-8104-805d46cf3942 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
fbc00c44-8ed6-4330-9619-10e7dafae34e Environmental → Air → Indoor EF 3.1 kg 4
3cbcfd22-f172-4333-b6b2-4d7ed1a3c2b1 Environmental → Air → Long-term EF 3.1 kg 0
c5ca4301-892e-4deb-a2c3-e8c7ad872f8c Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
02573b08-2ac1-4bce-9085-6e076fdc27ba Environmental → Air → Unknown EF 3.1 kg 4
65747cd5-ac2c-4096-88b8-9986e15fc0ab Environmental → Ground → Agricultural EF 3.1 kg 4
fc798302-6323-4673-b8f8-32f32871ec11 Environmental → Ground → Non-agricultural EF 3.1 kg 4
2b3eeab7-926b-49eb-8041-e89ec0025eff Environmental → Ground → Unknown EF 3.1 kg 4
fe2653bb-4aaf-4cf5-b53f-d000655c5e5e Environmental → Water → Long-term EF 3.1 kg 0
7f261679-38fe-4192-abb0-351b0ba8dc62 Environmental → Water → Ocean EF 3.1 kg 4
93e4ec0d-41ce-40bf-b3e8-4adca30aa1fb Environmental → Water → Surface water EF 3.1 kg 4
8bf723df-8fd7-4be5-871d-f5aa1c885b0d Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-f5ad819206ee3caf",
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      }
    },
    {
      "@value": "1,4-Dihydroxy-2,3,5-trimethylbenzene",
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    {
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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

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