1,1'-(4-methylpent-1-ene-2,4-diyl)dibenzene
fo-c2cf4e7ac24d0376
Identity
- Type
- Neutral molecule
- CAS
- 6362-80-7
- EC
- 228-846-8
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 54 across every transformer
Structure
Alternative labels
10- (2-Methyl-4-phenylpent-4-en-2-yl)benzene
- 1,1′-(1,1-Dimethyl-3-methylene-1,3-propanediyl)bis[benzene]
- 1-Pentene, 4-methyl-2,4-diphenyl-
- 2,4-Diphenyl-4-methyl-1-pentene
- 4,4-Dimethyl-2,4-diphenyl-1-butene
- 4-Methyl-2,4-diphenyl-1-pentene
- Benzene, 1,1′-(1,1-dimethyl-3-methylene-1,3-propanediyl)bis-
- Nofmer MSD
- α-(2-Methyl-2-phenylpropyl)styrene
- α-MSD
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | ZOKCNEIWFQCSCM-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C18H20/c1-15(16-10-6-4-7-11-16)14-18(2,3)17-12-8-5-9-13-17/h4-13H,1,14H2,2-3H3 |
| IUPAC name chemrof:IUPAC_name | 1,1'-(4-methylpent-1-ene-2,4-diyl)dibenzene |
| Molecular formula chemrof:molecular_formula | C18H20 |
| Molecular mass chemrof:molecular_mass | 236.358 |
| Monoisotopic mass chemrof:monoisotopic_mass | 236.156501 |
| SMILES string chemrof:smiles_string | C=C(CC(C)(C)c1ccccc1)c1ccccc1 |
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=6362-80-7 | enrich_references.consensus_cas_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.026.224 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID3044253 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/2W7U3P4C7E | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J53.478A | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/80715 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q27255693 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 56333f18-337f-4a9e-9e7c-62c7218f837e | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| b6372cc7-e8fe-47aa-a28e-297bc418956c | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| 380f79f9-ac46-40a6-871d-3551b957b46a | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| 302cd3b2-a1b1-4949-b505-b5739c6fc3c3 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 12512389-21ce-4134-be11-44fa9768ff8e | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| 83033c9e-483c-47d7-a6ec-860eabfaa54d | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| ebbdc31e-0a29-4171-907f-aa9f062d453e | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| dd21cdc9-dbce-4297-85e6-c596d050c23c | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| 1b027a6b-8787-4b99-ab72-d017588d1c0e | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| 10a80b1b-658f-4bc0-85ee-0f9edd5b6878 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 72a79fa0-c6c7-4320-8fde-9c516645d282 | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| 82f93f33-068a-4495-9226-ddcc2c1715c7 | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| f7d38ad8-fb5d-440e-9052-df1a4586cc04 | Environmental → Water → Unknown | EF 3.1 | kg | 2 |
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