4,4'-(1,3-phenylene-bis(1-methylethylidene))bisphenol
fo-0d465cb9ce09970c
Identity
- Type
- Neutral molecule
- CAS
- 13595-25-0
- EC
- 428-970-4
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 54 across every transformer
Structure
Alternative labels
14- 1,3-Bis(4-hydroxycumyl)benzene
- 1,3-Bis[1-methyl-1-(4-hydroxyphenyl)ethyl]benzene
- 1,3-Bis[2-(4-hydroxyphenyl)-2-propyl]benzene
- 1,3-Bis[α-methyl-α-(4-hydroxyphenyl)ethyl]benzene
- 1,3-Di[2-(4-hydroxyphenyl)-2-propyl]benzene
- 4,4′-(1,3-Phenylenediisopropylidene)bisphenol
- 4,4′-(m-Phenylenediisopropylidene)bisphenol
- 4,4′-(m-Phenylenediisopropylidene)diphenol
- 4,4′-[1,3-Phenylenebis(1-methylethylidene)]bis[phenol]
- 4,4′-[1,3-Phenylenebis(2,2-propylidene)]bisphenol
- Bisphenol M
- BPM (monomer)
- Phenol, 4,4′-(m-phenylenediisopropylidene)di-
- Phenol, 4,4′-[1,3-phenylenebis(1-methylethylidene)]bis-
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | PVFQHGDIOXNKIC-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C24H26O2/c1-23(2,17-8-12-21(25)13-9-17)19-6-5-7-20(16-19)24(3,4)18-10-14-22(26)15-11-18/h5-16,25-26H,1-4H3 |
| IUPAC name chemrof:IUPAC_name | 1,3-Bis(4-hydroxycumyl)benzene |
| Molecular formula chemrof:molecular_formula | C24H26O2 |
| Molecular mass chemrof:molecular_mass | 346.47 |
| Monoisotopic mass chemrof:monoisotopic_mass | 346.19328 |
| SMILES string chemrof:smiles_string | CC(C)(c1ccc(O)cc1)c1cccc(C(C)(C)c2ccc(O)cc2)c1 |
Known URLs
8Where 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=13595-25-0 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.132.710 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID7065548 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL5920312 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/P9VL9VLK8V | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J105.959I | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/3292100 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q65643372 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| ffa7542a-917f-4b71-8776-1b57ec280171 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| 27ba10da-d3f2-484f-bf26-24e029a92be7 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| a9c40663-9c32-45b6-a813-4df674d89e98 | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| f6646930-758c-4866-8f52-1c4d1568373b | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 0fe0f449-ac15-48c9-95e6-f1680734e3d5 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| 96fb4a63-1f48-40b0-ba7e-3811801f8f40 | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| e777cb12-c38e-4161-86a9-b603a8351c58 | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| 3e6ad523-0533-48a5-8217-31f642bef5dd | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| 5c2cf2e5-b719-41fe-8aef-506e8e0a2c07 | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| 43ec4d51-72b4-4d44-8ee2-c2d03cc8825c | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 9dc6c3a1-7dd2-49c4-aedc-177cea1199e1 | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| 3cb183c1-fdf4-49cf-b14b-0bf087aef73a | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| 73e474a1-315b-4d4c-9321-f49c0d356c3d | 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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"prov:wasAttributedTo": "consensus-flow-list",
"prov:wasDerivedFrom": "semantic_typing.rule.neutral_molecule"
}
}
},
"classifications": {
"http://semanticscience.org/resource/CHEMINF_000446": {
"@value": [
"13595-25-0"
],
"rdfs:seeAlso": [
"https://commonchemistry.cas.org/detail?cas_rn=13595-25-0"
],
"http://www.w3.org/2004/02/skos/core#exactMatch": [
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=13595-25-0"
}
],
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "cas_numbers"
}
},
"http://semanticscience.org/resource/CHEMINF_000447": {
"@value": [
"428-970-4"
],
"rdfs:seeAlso": [
"https://echa.europa.eu/search-for-chemicals?query=428-970-4"
],
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "ec_numbers"
}
}
},
"origin_qualifier": null,
"parent_flow_object_id": null,
"parent_intervention_id": null,
"@type": [
"https://w3id.org/chemrof/NeutralMolecule"
]
}
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