P-xylene
fo-af700335d7b6b536
Identity
- Type
- Neutral molecule
- CAS
- 106-42-3
- EC
- 203-396-5
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 56 across every transformer
Structure
Alternative labels
11- 1,4-Dimethylbenzene
- 1,4-Dimethylbenzol
- 1,4-xylene
- 4-methyltoluene
- 4-xylene
- Benzene, 1,4-dimethyl-
- p-dimethylbenzene
- p-Methyltoluene
- p-Phenylenebis(methylene)
- p-Xylol
- PARA-XYLENE
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | URLKBWYHVLBVBO-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3 |
| IUPAC name chemrof:IUPAC_name | 1,4-Dimethylbenzene |
| Molecular formula chemrof:molecular_formula | C8H10 |
| Molecular mass chemrof:molecular_mass | 106.168 |
| Monoisotopic mass chemrof:monoisotopic_mass | 106.07825 |
| SMILES string chemrof:smiles_string | Cc1ccc(C)cc1 |
Known URLs
29Where 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=106-42-3 | enrich_references.chebi_xrefs |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=25951-90-0 | enrich_references.pubchem_identifier_url |
| cdc.gov | https://www.cdc.gov/niosh-rtecs/ZE280DE8.html | enrich_references.pubchem_identifier_url |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:27417 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.003.088 | enrich_references.pubchem_identifier_url |
| chemicalsafety.ilo.org | https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0086 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID2021868 | enrich_references.pubchem_identifier_url |
| DrugBank | https://go.drugbank.com/drugs/DB03463 | enrich_references.chebi_xrefs |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=72419 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL31561 | enrich_references.pubchem_identifier_url |
| gmelin | gmelin:2697 | enrich_references.chebi_xrefs |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/6WAC1O477V | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0059924 | enrich_references.chebi_xrefs |
| hts.usitc.gov | https://hts.usitc.gov/search?query=2902.43.00.00 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.609I | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/C06756 | enrich_references.chebi_xrefs |
| kegg.jp | https://www.kegg.jp/entry/C06756 | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=51311 | enrich_references.pubchem_identifier_url |
| MetaCyc | https://metacyc.org/compound?orgid=META&id=CPD-1422 | enrich_references.chebi_xrefs |
| pdb-ccd | pdb-ccd:PXY | enrich_references.chebi_xrefs |
| pharos.nih.gov | https://pharos.nih.gov/ligands/8YSR17TMDLG8 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/7809 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/erg/#1307 | enrich_references.pubchem_identifier_url |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/23316419 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/24028095 | enrich_references.chebi_xrefs |
| reaxys | reaxys:1901563 | enrich_references.chebi_xrefs |
| umbbd.compound | umbbd.compound:c0083 | enrich_references.chebi_xrefs |
| Wikidata | https://www.wikidata.org/wiki/Q3314420 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/P-Xylene | enrich_references.chebi_xrefs |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| fe0acd60-3ddc-11dd-ab7f-0050c2490048 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 5 |
| fe0acd60-3ddc-11dd-ab7d-0050c2490048 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 5 |
| 8123cdeb-1d56-4f78-873e-9638bc9f88f4 | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| fe0acd60-3ddc-11dd-ab7c-0050c2490048 | Environmental → Air → Long-term | EF 3.1 | kg | 1 |
| fe0acd60-3ddc-11dd-ab7e-0050c2490048 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 5 |
| fe0acd60-3ddc-11dd-ab7b-0050c2490048 | Environmental → Air → Unknown | EF 3.1 | kg | 5 |
| fe0acd60-3ddc-11dd-ab79-0050c2490048 | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| 08a91e70-3ddc-11dd-9ee6-0050c2490048 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| fe0acd60-3ddc-11dd-ab7a-0050c2490048 | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| 08a91e70-3ddc-11dd-9ee4-0050c2490048 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 08a91e70-3ddc-11dd-9ee7-0050c2490048 | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| fe0acd60-3ddc-11dd-ab80-0050c2490048 | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| 08a91e70-3ddc-11dd-9ee5-0050c2490048 | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
History
Everything that changed this substance (56 changes)
Full record
Flow object JSON
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}Something wrong here?
- This substance is published under the wrong name
- This is not that chemical
- This record is two substances, or it is a second copy of one
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