Di(propan-2-yl)benzene
fo-e8da8a1c4d8c04bc
Identity
- Type
- Neutral molecule
- CAS
- 25321-09-9
- EC
- 246-835-6
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 54 across every transformer
Structure
Alternative labels
5- Benzene, bis(1-methylethyl)-
- Benzene, diisopropyl-
- Bis(1-methylethyl)benzene
- Bis(isopropyl)benzene
- Diisopropylbenzene
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | BXMLLOTYMRYOPB-UHFFFAOYSA-N, OKIRBHVFJGXOIS-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C12H18/c1-9(2)11-7-5-6-8-12(11)10(3)4/h5-10H,1-4H3 |
| IUPAC name chemrof:IUPAC_name | Di(propan-2-yl)benzene |
| Molecular formula chemrof:molecular_formula | C12H18, C36H54 |
| SMILES string chemrof:smiles_string | CC(C)c1ccccc1C(C)C |
Known URLs
14Where 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=25321-09-9 | enrich_references.consensus_cas_link |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=577-55-9 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.008.558 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.042.563 | enrich_references.pubchem_identifier_url |
| chemicalsafety.ilo.org | https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=1714 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID30860336 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3188905 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/6E5460R9HG | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J54.882K | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=130697 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/11345 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/23424232 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/erg/#3082 | enrich_references.pubchem_identifier_url |
| Wikidata | https://www.wikidata.org/wiki/Q27264653 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 3c47a8f3-e601-499c-ace1-2ee37dd987ae | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| 0cd8660b-b89b-4e4e-b901-be01360a100f | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| e844d71e-1182-4940-9ae4-9b5fef9278f4 | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| 78eacd99-e20a-4f06-94c9-45626b038705 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 6e238edc-dc25-4c7a-9110-a02b84cdc6e3 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| 4ebdfcc2-1cd6-4d3f-9fd3-222c99195d2d | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| 4a155f9f-17d6-4084-835d-f2233161125f | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| 0111ca0b-19e4-4c3e-b3db-6c9c4529b51b | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| c9a4d8d0-ac2a-4a3a-8ac8-95527a17960b | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| 4ca561e6-ed81-4352-9fb8-045e1ab55a83 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 1e06e732-628d-46f4-8aea-a2b539ca2867 | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| eec6c3cd-c387-4c0f-9005-f21f0454ae0f | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| 20ce0af0-3b4f-43be-94e6-2de383f6657f | 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