Durene
fo-f9fe572b9fa64496
Identity
- Type
- Neutral molecule
- CAS
- 95-93-2
- EC
- 202-465-7
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 57 across every transformer
Structure
Alternative labels
7- 1,2,4,5-tetramethylbenzene
- 2,5-dimethyl-p-xylene
- Benzene, 1,2,4,5-tetramethyl-
- Durol
- p-Xylene, 2,5-dimethyl-
- SJB
- Xinhe S 150
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | SQNZJJAZBFDUTD-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C10H14/c1-7-5-9(3)10(4)6-8(7)2/h5-6H,1-4H3 |
| IUPAC name chemrof:IUPAC_name | Durene |
| Molecular formula chemrof:molecular_formula | C10H14 |
| Molecular mass chemrof:molecular_mass | 134.222 |
| Monoisotopic mass chemrof:monoisotopic_mass | 134.10955 |
| SMILES string chemrof:smiles_string | Cc1cc(C)c(C)cc1C |
Known URLs
22Where 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 |
|---|---|---|
| beilstein | beilstein:1903393 | enrich_references.chebi_xrefs |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=95-93-2 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:38978 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.002.242 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID1029124 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=6770 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1797134 | enrich_references.pubchem_identifier_url |
| gmelin | gmelin:101593 | enrich_references.chebi_xrefs |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/181426CFYB | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0244147 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J4.714G | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/C14534 | enrich_references.chebi_xrefs |
| kegg.jp | https://www.kegg.jp/entry/C14534 | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=52230 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/7269 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/erg/#1325 | enrich_references.pubchem_identifier_url |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/11530642 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/21319859 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/24315030 | enrich_references.chebi_xrefs |
| reaxys | reaxys:1903393 | enrich_references.chebi_xrefs |
| Wikidata | https://www.wikidata.org/wiki/Q907919 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/Durene | enrich_references.chebi_xrefs |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 4a9db9a7-9f50-48a2-b423-9223e80e5efe | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| b32d4e90-880a-47e6-af39-f43b968c5438 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| 14c23390-2d88-4dda-af8f-9b286039da90 | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| 6dd8f0ca-bd2a-41f8-b34c-11c1c6009bc1 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| a455b882-8aea-4eb3-8014-1e8e189b6569 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| 0fa4530a-9fda-4124-a536-b1bbb867ef8f | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| d57c6474-0204-414b-ab3d-5180b1491486 | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| 30917201-642c-4ccd-b760-3ab72c45e6ec | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| d35b2b60-aab1-4801-8df6-9e5ec8090d9c | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| a9e3456a-f0c3-4b7d-bf6e-62740aebdb14 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 4eeb96e0-78ec-48ed-bc93-8d8c5a5f0198 | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| f7c289f4-b751-4d31-8998-c51017921312 | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| 7212d54d-e275-40e5-b444-d444f4952d40 | Environmental → Water → Unknown | EF 3.1 | kg | 2 |
History
Everything that changed this substance (57 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