2,3,3-trimethyl-1-butene
fo-d207f2770a1d7f78
Identity
- Type
- Neutral molecule
- CAS
- 594-56-9
- EC
- 209-845-1
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 52 across every transformer
Structure
Alternative labels
8- 1-Butene, 2,3,3-trimethyl-
- 1-Methyl-1-tert-butylethene
- 1-Methyl-1-tert-butylethylene
- 1-tert-Butyl-1-methylethylene
- 2,2,3-Trimethylbutene
- 2,3,3-Trimethylbutene
- 2-tert-Butylpropene
- Triptene
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | AUYRUAVCWOAHQN-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C7H14/c1-6(2)7(3,4)5/h1H2,2-5H3 |
| IUPAC name chemrof:IUPAC_name | 2,3,3-trimethyl-1-butene |
| Molecular formula chemrof:molecular_formula | C7H14 |
| Molecular mass chemrof:molecular_mass | 98.189 |
| Monoisotopic mass chemrof:monoisotopic_mass | 98.10955 |
| SMILES string chemrof:smiles_string | C=C(C)C(C)(C)C |
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=594-56-9 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.008.952 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID80208123 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=73922 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J96.153A | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/11669 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q83082215 | enrich_references.pubchem_identifier_url |
Elementary flows
12| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 1729efb1-6556-11dd-ad8b-0800200c9a66 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 0 |
| 4d9a8790-3ddd-11dd-97ca-0050c2490048 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 0 |
| 4d9a8790-3ddd-11dd-97c9-0050c2490048 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 4d9a8790-3ddd-11dd-97cb-0050c2490048 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 0 |
| 4d9a8790-3ddd-11dd-97c8-0050c2490048 | Environmental → Air → Unknown | EF 3.1 | kg | 0 |
| 1729efaf-6556-11dd-ad8b-0800200c9a66 | Environmental → Ground → Agricultural | EF 3.1 | kg | 0 |
| 1729efb2-6556-11dd-ad8b-0800200c9a66 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 0 |
| 1729efb4-6556-11dd-ad8b-0800200c9a66 | Environmental → Ground → Unknown | EF 3.1 | kg | 0 |
| 1729efb6-6556-11dd-ad8b-0800200c9a66 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 1729efb3-6556-11dd-ad8b-0800200c9a66 | Environmental → Water → Ocean | EF 3.1 | kg | 0 |
| 1729efb0-6556-11dd-ad8b-0800200c9a66 | Environmental → Water → Surface water | EF 3.1 | kg | 0 |
| 1729efb5-6556-11dd-ad8b-0800200c9a66 | Environmental → Water → Unknown | EF 3.1 | kg | 0 |
History
Everything that changed this substance (52 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