2,2,4,6,6-pentamethylheptane
fo-1c2744152324f5fa
Identity
- Type
- Neutral molecule
- CAS
- 13475-82-6
- EC
- 236-757-0
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 53 across every transformer
Structure
Alternative labels
3- Daphne Alpha Cleaner MX
- Heptane, 2,2,4,6,6-pentamethyl-
- Marukazol R
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | VKPSKYDESGTTFR-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C12H26/c1-10(8-11(2,3)4)9-12(5,6)7/h10H,8-9H2,1-7H3 |
| IUPAC name chemrof:IUPAC_name | 2,2,4,6,6-pentamethylheptane |
| Molecular formula chemrof:molecular_formula | C12H26 |
| Molecular mass chemrof:molecular_mass | 170.34 |
| Monoisotopic mass chemrof:monoisotopic_mass | 170.20345, 170.203451 |
| SMILES string chemrof:smiles_string | CC(CC(C)(C)C)CC(C)(C)C |
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=13475-82-6 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:77509 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.033.401 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID0042034 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/A8289P68Y2 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J133.533B | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/26058 | enrich_references.pubchem_compound |
| reaxys | reaxys:1731750 | enrich_references.chebi_xrefs |
| Wikidata | https://www.wikidata.org/wiki/Q27147086 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 8d5c611d-0f76-415f-a78e-7d1e9c8c9e06 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| a9c39961-15a9-445d-9ff5-330b8c72df11 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| 826deeb7-24de-478b-b7f0-6866e994992b | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| 1b53e4a3-5f87-45ce-bb45-e21d7039328c | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 42212b2b-a4fc-4c14-ac07-639496363a41 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| 2f2dbf0a-cd7f-402e-b3cf-ecfe3cd67ac6 | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| 1ee1f5d0-ecc9-4251-9405-10ce81b8326e | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| a3f73f62-d280-46f2-92d8-a7613d8293ae | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| 3ce63e8d-8f20-4341-b354-ccfb06d5ff3e | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| cbd3fa88-fa72-4c3d-8e4c-d0137945f123 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 8418271c-482b-4761-ab79-16c32abb13e1 | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| 474518bc-0dc8-4261-a4cf-b9867fb84894 | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| d1fd6059-0f08-4ee1-9a74-ca012e1e18d2 | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
History
Everything that changed this substance (53 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