1,4-di(propan-2-yl)benzene
fo-4ec433af8e74a4ab
Identity
- Type
- Neutral molecule
- CAS
- 100-18-5
- EC
- 202-826-9
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 54 across every transformer
Structure
Alternative labels
8- 1,4-Bis(1-methylethyl)benzene
- 1,4-Bis(isopropyl)benzene
- 1,4-Bis(propan-2-yl)benzene
- 1,4-Diisopropylbenzene
- Benzene, 1,4-bis(1-methylethyl)-
- Benzene, p-diisopropyl-
- p-Di-iso-propylbenzene
- p-Diisopropylbenzene
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | SPPWGCYEYAMHDT-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C12H18/c1-9(2)11-5-7-12(8-6-11)10(3)4/h5-10H,1-4H3 |
| IUPAC name chemrof:IUPAC_name | 1,4-di(propan-2-yl)benzene |
| Molecular formula chemrof:molecular_formula | C12H18 |
| Molecular mass chemrof:molecular_mass | 162.276 |
| Monoisotopic mass chemrof:monoisotopic_mass | 162.140851 |
| SMILES string chemrof:smiles_string | CC(C)c1ccc(C(C)C)cc1 |
Known URLs
10Where 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=100-18-5 | enrich_references.pubchem_identifier_url |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=25822-43-9 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.002.570 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID2026652 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=84198 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1872836 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/5M62031NZP | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.587D | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/7486 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q27262542 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| f051db49-c0a2-445a-bbdb-8d0404b1befb | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| ca8223a5-3c4f-4ed5-a176-e6e83a2060be | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| b1165455-e647-43de-a1dc-d1bb95b053ce | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| b35e3066-2677-4f88-9a0a-d43020bacab4 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| d1dec33c-7e50-4251-b0f1-9e69e16a8ab1 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| 49fd88fb-dbd2-4ce3-becb-f7d4363dd819 | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| 801080bc-3667-4a19-9657-8913e17b8e28 | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| 7cb047ff-4f76-4c73-a4a2-7177e69ca8bf | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| c2871b2c-31b6-43ce-b8d3-35ffd7099fe5 | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| 00903a33-b6ad-4ed2-b425-e98a92a150ea | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 7161b381-e01c-474c-b3ce-e5be2bdf9286 | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| 976b8a0b-413c-4e73-b3c9-dbb2647e58c9 | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| bbb2b192-e37d-499b-ad01-5adaf32e02d8 | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
History
Everything that changed this substance (54 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