4,4',4''-(1-methylpropan-1-yl-3-ylidene)tris(2-cyclohexyl-5-methylphenol)
fo-a3963a87a044a1f4
Identity
- Type
- Neutral molecule
- CAS
- 111850-25-0
- EC
- 407-460-5
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 54 across every transformer
Structure
Alternative labels
9- 1,1,3-Tri(3-cyclohexyl-4-hydroxy-6-methylphenyl)butane
- 1,1,3-Tris(2-methyl-4-hydroxy-5-cyclohexylphenyl)butane
- 1,1,3-Tris(2-methyl-5-cyclohexyl-4-hydroxyphenyl)butane
- 1,1,3-Tris(3′-cyclohexyl-4′-hydroxy-6′-methylphenyl)butane
- 1,1,3-Tris(5-cyclohexyl-4-hydroxy-2-methylphenyl)butane
- 4,4′,4′′-(1-Methyl-1-propanyl-3-ylidene)tris[2-cyclohexyl-5-methylphenol]
- ADK-ARKLS DH 43
- ARKLS-DH 43
- Phenol, 4,4′,4′′-(1-methyl-1-propanyl-3-ylidene)tris[2-cyclohexyl-5-methyl-
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | PRMDDINQJXOMDC-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C43H58O3/c1-27(34-24-37(41(44)21-28(34)2)31-14-8-5-9-15-31)20-40(35-25-38(42(45)22-29(35)3)32-16-10-6-11-17-32)36-26-39(43(46)23-30(36)4)33-18-12-7-13-19-33/h21-27,31-33,40,44-46H,5-20H2,1-4H3 |
| IUPAC name chemrof:IUPAC_name | 1,1,3-Tri(3-cyclohexyl-4-hydroxy-6-methylphenyl)butane |
| Molecular formula chemrof:molecular_formula | C43H58O3 |
| Molecular mass chemrof:molecular_mass | 622.934 |
| Monoisotopic mass chemrof:monoisotopic_mass | 622.438596 |
| SMILES string chemrof:smiles_string | Cc1cc(O)c(C2CCCCC2)cc1C(C)CC(c1cc(C2CCCCC2)c(O)cc1C)c1cc(C2CCCCC2)c(O)cc1C |
Known URLs
6Where 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=111850-25-0 | enrich_references.consensus_cas_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.100.897 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID40888849 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J111.218J | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/14228559 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q82868599 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 086721dc-d6f0-40c8-a68a-957b735b3ffc | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| 3936a87a-8294-4c2f-a94c-a918b1a62505 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| fb030031-64b1-43d3-a613-9787a0695979 | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| 9768bb25-c905-49c2-927a-d44c7c4e0e7d | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| c392009d-0fef-4cf7-87ba-f52a8ec35ca7 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| fb6e1c67-36f7-4903-bf4b-a83b57432a43 | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| 4630d267-df4e-4efd-a0fc-7164bdbb31e7 | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| 44eebf2b-632d-4cd5-9830-075f555dc22d | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| c3ed5595-5fc9-4054-8c97-1fc0e719d029 | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| bba94043-6136-4f8f-aa7c-dad55dff11c9 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 14923085-302f-41a8-8dfd-3ea678eaa354 | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| 223c39eb-79c5-44eb-a77e-aedf94c82b4e | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| 25afca72-b3ca-44c0-b597-1c6cd1492233 | 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