2-tert-butyl-4,6-dimethylphenol
fo-66e854bc9665ded3
Identity
- Type
- Neutral molecule
- CAS
- 1879-09-0
- EC
- 217-533-1
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 54 across every transformer
Structure
Alternative labels
13- 2,4-Dimethyl-6-tert-butylphenol
- 2,4-Xylenol, 6-tert-butyl-
- 2-(1,1-Dimethylethyl)-4,6-dimethylphenol
- 2-Methyl-6-tert-butyl-p-cresol
- 2-tert-Butyl-4,6-methylphenol
- 4,6-Dimethyl-2-tert-butylphenol
- 6-(1,1-Dimethylethyl)-2,4-dimethylphenol
- 6-tert-Butyl-2,4-dimethylphenol
- 6-tert-Butyl-2,4-xylenol
- Antioxidant 30
- Antioxidant TBX
- Phenol, 2-(1,1-dimethylethyl)-4,6-dimethyl-
- Topanol A
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | OPLCSTZDXXUYDU-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C12H18O/c1-8-6-9(2)11(13)10(7-8)12(3,4)5/h6-7,13H,1-5H3 |
| IUPAC name chemrof:IUPAC_name | 2-tert-butyl-4,6-dimethylphenol |
| Molecular formula chemrof:molecular_formula | C12H18O |
| Molecular mass chemrof:molecular_mass | 178.275 |
| Monoisotopic mass chemrof:monoisotopic_mass | 178.135765 |
| SMILES string chemrof:smiles_string | Cc1cc(C)c(O)c(C(C)(C)C)c1 |
Known URLs
12Where 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=1879-09-0 | enrich_references.consensus_cas_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.015.940 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID6041551 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=8130 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3561934 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/4HZG7U1P1S | enrich_references.pubchem_identifier_url |
| hts.usitc.gov | https://hts.usitc.gov/search?query=2907.19.61.00 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J150.062G | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/15884 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/erg/#2430 | enrich_references.pubchem_identifier_url |
| Wikidata | https://www.wikidata.org/wiki/Q4272672 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/2,4-Dimethyl-6-tert-butylphenol | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| ecb93794-8c21-4e74-ab1f-026946d67f90 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| b910c61f-657a-4758-b52b-2c17a22b884c | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| 2b48fdeb-b92a-42e1-b8a2-6d140c8dcec2 | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| e635548a-55ee-4747-90fc-91db55f1581f | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 70803d98-d083-41e4-9a86-d10ce10dd6d7 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| 9563fc78-3515-4e37-bb40-821eaa8957d9 | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| 4dfe5b5e-bc83-4045-bce5-d324adc9cbdd | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| d12344cf-9bee-421b-87f4-0f148a8187aa | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| a2139b09-9b2c-4eb3-b6d8-bacc99e9d191 | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| f6027287-9fec-4fa0-a279-b9c33cf78a10 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 3646b2dc-26b8-443f-82cc-ada5ba206121 | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| 5eaf16f0-e4f8-4b64-b50d-2d24e646f49d | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| c745342c-f36e-4e74-b012-7f03110f9cda | 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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"seed_uuid": "2b48fdeb-b92a-42e1-b8a2-6d140c8dcec2",
"seed_source": "EF 3.1",
"semantic_typing": {
"rule": "neutral_molecule",
"reason": "",
"types": [
"https://w3id.org/chemrof/NeutralMolecule"
],
"provenance": {
"prov:wasGeneratedBy": "semantic_typing.classify",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:wasDerivedFrom": "semantic_typing.rule.neutral_molecule"
}
}
},
"classifications": {
"http://semanticscience.org/resource/CHEMINF_000446": {
"@value": [
"1879-09-0"
],
"rdfs:seeAlso": [
"https://commonchemistry.cas.org/detail?cas_rn=1879-09-0"
],
"http://www.w3.org/2004/02/skos/core#exactMatch": [
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=1879-09-0"
}
],
"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": [
"217-533-1"
],
"rdfs:seeAlso": [
"https://echa.europa.eu/search-for-chemicals?query=217-533-1"
],
"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