1,3-diisopropenylbenzene
fo-8191a314f752384d
Identity
- Type
- Neutral molecule
- CAS
- 3748-13-8
- EC
- 223-146-9
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 54 across every transformer
Structure
Alternative labels
7- 1,3-Bis(1-methylethenyl)benzene
- 1,3-Bis(1-methylvinyl)benzene
- 1,3-Bis(prop-1-en-2-yl)benzene
- Benzene, 1,3-bis(1-methylethenyl)-
- Benzene, m-diisopropenyl-
- m-Bis(1-methylvinyl)benzene
- m-Diisopropenylbenzene
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | IBVPVTPPYGGAEL-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C12H14/c1-9(2)11-6-5-7-12(8-11)10(3)4/h5-8H,1,3H2,2,4H3 |
| IUPAC name chemrof:IUPAC_name | 1,3-diisopropenylbenzene |
| Molecular formula chemrof:molecular_formula | C12H14 |
| Molecular mass chemrof:molecular_mass | 158.244 |
| Monoisotopic mass chemrof:monoisotopic_mass | 158.10955 |
| SMILES string chemrof:smiles_string | C=C(C)c1cccc(C(=C)C)c1 |
Known URLs
9Where 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=30352-78-4 | enrich_references.pubchem_identifier_url |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=3748-13-8 | enrich_references.consensus_cas_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.021.043 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID7027546 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3188124 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/536PC64795 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J24.316G | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/77353 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q27261066 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| a8a84712-bce3-4373-a89c-6a3ea89b1e13 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| e59f1826-9d06-4767-8f56-d10489b391a5 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| e4c68e94-8a95-4222-9ecf-2c491fd11032 | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| 401c4e6a-4f43-424f-b6cf-bc03bc8cb345 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 1d214cb4-48dc-4ac4-a699-fa8096b2577e | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| e62cd7cb-0dba-4ad0-b41b-8e3647693b78 | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| a519aca0-7a03-4da9-8a79-5b23265484bc | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| f61b156d-8f79-488c-8004-d37a22394c39 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| d9c04668-e3c2-4f8c-b0f8-284aaaf49b5c | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| a2ee0ea0-fbcc-4ae0-8c3f-f85de4c763e5 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| aa3c3e8e-f293-4fc5-8260-fa27e2b542b3 | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| 39c83ad2-d23a-4703-a781-e1f924563377 | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| 3b55489a-4230-4a14-b11c-78719255bd5f | 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