2,6-bis(1,1-dimethylethyl)-4-(phenylenemethylene)cyclohexa-2,5-dien-1-one
fo-b18e90f69ad2d123
Identity
- Type
- Neutral molecule
- CAS
- 7078-98-0
- EC
- 429-460-4
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 54 across every transformer
Structure
Alternative labels
8- 2,5-Cyclohexadien-1-one, 2,6-bis(1,1-dimethylethyl)-4-(phenylmethylene)-
- 2,5-Cyclohexadien-1-one, 4-benzylidene-2,6-di-tert-butyl-
- 2,6-Bis(1,1-dimethylethyl)-4-(phenylmethylene)-2,5-cyclohexadien-1-one
- 2,6-Di-tert-butyl-4-benzylidene-cyclohexa-2,5-dienone
- 4-Benzylidene-2,6-di-tert-butyl-2,5-cyclohexadien-1-one
- 4-Benzylidene-2,6-di-tert-butylcyclohexa-2,5-dienone
- 4-Phenylmethylene-2,6-di-tert-butyl-2,5-cyclohexadien-1-one
- Genorad 24
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | HCUWXYBKPSKTAB-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C21H26O/c1-20(2,3)17-13-16(12-15-10-8-7-9-11-15)14-18(19(17)22)21(4,5)6/h7-14H,1-6H3 |
| IUPAC name chemrof:IUPAC_name | 2,5-Cyclohexadien-1-one, 2,6-bis(1,1-dimethylethyl)-4-(phenylmethylene)- |
| Molecular formula chemrof:molecular_formula | C21H26O |
| Molecular mass chemrof:molecular_mass | 294.438 |
| Monoisotopic mass chemrof:monoisotopic_mass | 294.198365 |
| SMILES string chemrof:smiles_string | CC(C)(C)C1=CC(=Cc2ccccc2)C=C(C(C)(C)C)C1=O |
Known URLs
7Where 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=7078-98-0 | enrich_references.consensus_cas_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.102.781 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.118.490 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID6052453 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.529.688G | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/160881 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q81985098 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| f6e1bd91-6ec4-43bf-a13a-86341e577d24 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| 4ba19fb5-9ed8-43fa-8b86-fd1b359023a7 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| 3554825a-390e-48e6-8fcd-5e28b6891af1 | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| a50a4a81-ee64-4a06-b801-8207e2f36071 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| f9e2f147-08f8-4df7-90c7-dd48b47cb06b | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| 7228227e-93b2-4315-9906-676dd76e4577 | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| 1ec8c268-c16c-480a-b43b-c05add1701dd | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| 02b0aa28-b491-4be1-8d19-fddf7046e1d7 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| f3c4c67a-2ac0-43e2-9699-d893b47170df | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| beeb863e-bac3-4033-9a5a-a968f344168f | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 0c7ca172-1dea-4af8-89dd-573d577e3193 | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| 3d36f17d-0f20-44b6-8927-147839958262 | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| 1d6f43cc-d418-494c-bb04-04380f1204dd | 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