Consensus flow list

Identity

Type
NeutralMolecule
CAS
575-41-7
EC
209-384-6
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for 1,3-dimethylnaphthalene

Alternative labels

2

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string QHJMFSMPSZREIF-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C12H12/c1-9-7-10(2)12-6-4-3-5-11(12)8-9/h3-8H,1-2H3
IUPAC name chemrof:IUPAC_name 1,3-dimethylnaphthalene
Molecular formula chemrof:molecular_formula C12H12
Molecular mass chemrof:molecular_mass 156.228
Monoisotopic mass chemrof:monoisotopic_mass 156.0939
SMILES string chemrof:smiles_string Cc1cc(C)c2ccccc2c1

Known URLs

14

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=575-41-7 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:48614 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.008.532 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID9060360 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=66991 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL370524 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/3RY1AV3CER enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.624A enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=57065 enrich_references.pubchem_identifier_url
patent patent:EP1852409 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/11327 enrich_references.pubchem_compound
PubMed https://pubmed.ncbi.nlm.nih.gov/24341360 enrich_references.chebi_xrefs
reaxys reaxys:2039378 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q27121290 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
472b447d-e052-4baa-b1e5-2a6df25e89a1 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
786fa08b-f4e5-444b-aaea-beacd3c88790 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
85a4adf2-d92d-44d5-bb58-473c660dd036 Environmental → Air → Indoor EF 3.1 kg 2
8804dd05-68b9-4f8f-8016-c88b23c1dd71 Environmental → Air → Long-term EF 3.1 kg 0
3cb9440f-fd61-4510-af9d-d8498f7fe017 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
339f1815-4650-4557-a267-ecdda7e9f753 Environmental → Air → Unknown EF 3.1 kg 2
8243f033-48bf-40d9-822f-3452c93b1fb8 Environmental → Ground → Agricultural EF 3.1 kg 2
f594a013-5bf6-4739-bf62-803d874a2dc5 Environmental → Ground → Non-agricultural EF 3.1 kg 2
68dcd6f2-8ff3-4743-9abd-77ab7c7baeeb Environmental → Ground → Unknown EF 3.1 kg 2
c725f530-d12d-4372-8dff-a258eb114619 Environmental → Water → Long-term EF 3.1 kg 0
4ee1a427-ee54-48b1-a60f-c82cf9be500b Environmental → Water → Ocean EF 3.1 kg 2
1e9350f1-1cfe-4e11-9ed5-5b7e4936b615 Environmental → Water → Surface water EF 3.1 kg 2
7d9d015a-8859-41e0-bea8-a5bb5ed8f1e0 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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  ],
  "altLabel": [
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}

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