Consensus flow list

Identity

Type
Neutral molecule
CAS
526-75-0
EC
208-395-3
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for 2,3-xylenol

Alternative labels

6

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string QWBBPBRQALCEIZ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C8H10O/c1-6-4-3-5-8(9)7(6)2/h3-5,9H,1-2H3
IUPAC name chemrof:IUPAC_name 2,3-xylenol
Molecular formula chemrof:molecular_formula C8H10O
Molecular mass chemrof:molecular_mass 122.167
Monoisotopic mass chemrof:monoisotopic_mass 122.07316, 122.073165
SMILES string chemrof:smiles_string Cc1cccc(O)c1C

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=526-75-0 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:228969 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.007.634 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.013.718 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0601 enrich_references.pubchem_identifier_url
ChemSpider https://www.chemspider.com/Chemical-Structure.13839151.html enrich_references.chebi_xrefs
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID6025143 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=62011 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1490403 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/RLF9YS3586 enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0032148 enrich_references.chebi_xrefs
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J6.663J enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=45291 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/10687 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#2261 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q26841194 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
24b987bf-6096-4b34-ae27-0c4e5afabfac Environmental → Air → Aircraft cruise height EF 3.1 kg 2
b4b905ef-c796-4c74-938f-bcb75b1192e1 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
40c0a4bd-9337-49db-ad00-5dce91feea4c Environmental → Air → Indoor EF 3.1 kg 2
46a84d82-332e-42d6-ba07-3bd9c34cbb09 Environmental → Air → Long-term EF 3.1 kg 0
c82c98a3-a1e1-4551-be48-ee71c6db917a Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
4e5a1abf-cfca-4d5a-bc3f-1143e1ca9963 Environmental → Air → Unknown EF 3.1 kg 2
97dfb799-2267-467f-b298-52c82f5d1c26 Environmental → Ground → Agricultural EF 3.1 kg 2
c2c3afc6-d20e-4a97-9bad-761faff5ed16 Environmental → Ground → Non-agricultural EF 3.1 kg 2
f7009115-7584-4e67-b9ba-9cebec7a2ec4 Environmental → Ground → Unknown EF 3.1 kg 2
abfe8eae-5e51-4e39-9c0e-9ae1c25e9a7c Environmental → Water → Long-term EF 3.1 kg 0
51222a12-5b1a-425f-9e44-afa0e99c97eb Environmental → Water → Ocean EF 3.1 kg 2
e2408a53-69a4-476f-848c-0824417ed4a2 Environmental → Water → Surface water EF 3.1 kg 2
a92cdb74-90b9-4df6-ad40-93707205526c Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-a05e5f06cc17c87f",
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    },
    {
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  "@type": [
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}

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