4,4'-butane-1,1-diylbis(2-tert-butyl-5-methylphenol)
a73a5842-16bc-4c0f-956a-de1419e2eea8
Identity
- Substance
- fo-428e2dc9c6e3a669 NeutralMolecule
- Source
- EF 3.1
- Unit
- kg
- Context
- Environmental → Air → Indoor
- CAS
- 85-60-9
- EC
- 201-618-5
Context
- Dimension
- Environmental
- Indoor
- Unknown
- Media
- Air
Alternative labels
44- 1,1-Bis(2-methyl-4-hydroxy-5-tert-butylphenyl)butane
- 1,1-Bis(2-methyl-5-tert-butyl-4-hydroxyphenyl)butane
- 1,1-Bis(3-tert-butyl-4-hydroxy-6-methylphenyl)butane
- 1,1-Bis(3-tert-butyl-6-methyl-4-hydroxyphenyl)butane
- 1,1-Bis(4-hydroxy-3-tert-butyl-6-methylphenyl)butane
- 1,1-Bis(5-tert-butyl-4-hydroxy-2-methylphenyl)butane
- 2-tert-Butyl-4-[1-(5-tert-butyl-4-hydroxy-2-methylphenyl)butyl]-5-methylphenol
- 4,4′-Butylidene-bis-(2-tert-butyl-5-methyl-phenol)
- 4,4′-Butylidenebis(3-methyl-6-t-butylphenol)
- 4,4′-Butylidenebis(3-methyl-6-tert-butylphenol)
- 4,4′-Butylidenebis(6-tert-butyl-3-methylphenol)
- 4,4′-Butylidenebis(6-tert-butyl-m-cresol)
- 4,4′-Butylidenebis[2-(1,1-dimethylethyl)-5-methylphenol]
- 4,4′-Butylidenebis[2-tert-butyl-5-methylphenol]
- 4,4′-Butylidenebis[3-methyl-6-tert-butylphenol]
- 4,4′-Butylidenebis[6-tert-butyl-3-methylphenol]
- 4,4′-Butylidenebis[6-tert-butyl-m-cresol]
- 6,6′-Di-tert-butyl-4,4′-butylidene-di-m-cresol
- m-Cresol, 4,4′-butylidenebis[6-tert-butyl-
- ADK Stab AO 40
- ADK-AO 40
- Annulex PBA 15
- Antage W 300
- Antioxidant BBM
- Antioxidant W 300
- Anullex PBA 15
- BBM
- BBM-S
- Lowinox 44B25
- Mark AO 40
- Noclizer NS 30
- Nocrac NS 30
- Nonflex BB
- Phenol, 4,4′-butylidenebis[2-(1,1-dimethylethyl)-5-methyl-
- SWP
- SWP (antioxidant)
- Santowhite
- Santowhite AW 300
- Santowhite Powder
- Selosol G 969
- Sumilizer BBM
- Sumilizer BBM-S
- Vanox SWP
- Yoshinox BB
Source lists
1| List | Version | Source flow | Name there | Why this flow |
|---|---|---|---|---|
| EF | 3.1 | a73a5842-16bc-4c0f-956a-de1419e2eea8 | 4,4'-butane-1,1-diylbis(2-tert-butyl-5-methylphenol) | The consensus list is built from this one, so this row is the flow itself rather than something matched to it. |
Concept associations
1| Source list | Source flow | Name there | Compartment there | Match | Conversion |
|---|---|---|---|---|---|
| EF 3.1 | a73a5842-16bc-4c0f-956a-de1419e2eea8 | 4,4'-butane-1,1-diylbis(2-tert-butyl-5-methylphenol) | Emissions/Emissions to air/Emissions to air, indoor | exactMatch | — |
Characterisation factors
4- consensus-flow-list 2
- European Commission — JRC 2
Every implementation that says anything about this flow. Published as is what this list did with the row: where more than one implementation states a number and they agree it publishes it as agreed; where only one speaks, as sole; where they disagree it publishes nothing and asks.
| Method | Implementation | Category | Place | Factor | Published as |
|---|---|---|---|---|---|
| EF 3.1 | European Commission — JRC | Ecotoxicity, freshwater | — | 0.62095 | — |
| EF 3.1 | consensus-flow-list | Ecotoxicity, freshwater | — | 0.62095 | sole |
| EF 3.1 | European Commission — JRC | Ecotoxicity, freshwater_organics | — | 0.62095 | — |
| EF 3.1 | consensus-flow-list | Ecotoxicity, freshwater_organics | — | 0.62095 | sole |
History
The change log and the PROV-O trail (2 consensus changes)
These are the heaviest sections of this page and the least often read, so the page does not pay for them until you ask.
Full record
Flow JSON
{
"altLabel": [
{
"@value": "1,1-Bis(2-methyl-4-hydroxy-5-tert-butylphenyl)butane",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:85-60-9",
"https://commonchemistry.cas.org/detail?cas_rn=85-60-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "1,1-Bis(2-methyl-5-tert-butyl-4-hydroxyphenyl)butane",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:85-60-9",
"https://commonchemistry.cas.org/detail?cas_rn=85-60-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "1,1-Bis(3-tert-butyl-4-hydroxy-6-methylphenyl)butane",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:85-60-9",
"https://commonchemistry.cas.org/detail?cas_rn=85-60-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "1,1-Bis(3-tert-butyl-6-methyl-4-hydroxyphenyl)butane",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:85-60-9",
"https://commonchemistry.cas.org/detail?cas_rn=85-60-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "1,1-Bis(4-hydroxy-3-tert-butyl-6-methylphenyl)butane",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:85-60-9",
"https://commonchemistry.cas.org/detail?cas_rn=85-60-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "1,1-Bis(5-tert-butyl-4-hydroxy-2-methylphenyl)butane",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:85-60-9",
"https://commonchemistry.cas.org/detail?cas_rn=85-60-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "2-tert-Butyl-4-[1-(5-tert-butyl-4-hydroxy-2-methylphenyl)butyl]-5-methylphenol",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:85-60-9",
"https://commonchemistry.cas.org/detail?cas_rn=85-60-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "4,4′-Butylidene-bis-(2-tert-butyl-5-methyl-phenol)",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:85-60-9",
"https://commonchemistry.cas.org/detail?cas_rn=85-60-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "4,4′-Butylidenebis(3-methyl-6-t-butylphenol)",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:85-60-9",
"https://commonchemistry.cas.org/detail?cas_rn=85-60-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "4,4′-Butylidenebis(3-methyl-6-tert-butylphenol)",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:85-60-9",
"https://commonchemistry.cas.org/detail?cas_rn=85-60-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "4,4′-Butylidenebis(6-tert-butyl-3-methylphenol)",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:85-60-9",
"https://commonchemistry.cas.org/detail?cas_rn=85-60-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "4,4′-Butylidenebis(6-tert-butyl-m-cresol)",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:85-60-9",
"https://commonchemistry.cas.org/detail?cas_rn=85-60-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "4,4′-Butylidenebis[2-(1,1-dimethylethyl)-5-methylphenol]",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:85-60-9",
"https://commonchemistry.cas.org/detail?cas_rn=85-60-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "4,4′-Butylidenebis[2-tert-butyl-5-methylphenol]",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:85-60-9",
"https://commonchemistry.cas.org/detail?cas_rn=85-60-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "4,4′-Butylidenebis[3-methyl-6-tert-butylphenol]",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:85-60-9",
"https://commonchemistry.cas.org/detail?cas_rn=85-60-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "4,4′-Butylidenebis[6-tert-butyl-3-methylphenol]",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:85-60-9",
"https://commonchemistry.cas.org/detail?cas_rn=85-60-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "4,4′-Butylidenebis[6-tert-butyl-m-cresol]",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:85-60-9",
"https://commonchemistry.cas.org/detail?cas_rn=85-60-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "6,6′-Di-tert-butyl-4,4′-butylidene-di-m-cresol",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:85-60-9",
"https://commonchemistry.cas.org/detail?cas_rn=85-60-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "m-Cresol, 4,4′-butylidenebis[6-tert-butyl-",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:85-60-9",
"https://commonchemistry.cas.org/detail?cas_rn=85-60-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "ADK Stab AO 40",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:85-60-9",
"https://commonchemistry.cas.org/detail?cas_rn=85-60-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "ADK-AO 40",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:85-60-9",
"https://commonchemistry.cas.org/detail?cas_rn=85-60-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Annulex PBA 15",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:85-60-9",
"https://commonchemistry.cas.org/detail?cas_rn=85-60-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Antage W 300",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:85-60-9",
"https://commonchemistry.cas.org/detail?cas_rn=85-60-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Antioxidant BBM",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:85-60-9",
"https://commonchemistry.cas.org/detail?cas_rn=85-60-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Antioxidant W 300",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:85-60-9",
"https://commonchemistry.cas.org/detail?cas_rn=85-60-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Anullex PBA 15",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:85-60-9",
"https://commonchemistry.cas.org/detail?cas_rn=85-60-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "BBM",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:85-60-9",
"https://commonchemistry.cas.org/detail?cas_rn=85-60-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "BBM-S",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:85-60-9",
"https://commonchemistry.cas.org/detail?cas_rn=85-60-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Lowinox 44B25",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:85-60-9",
"https://commonchemistry.cas.org/detail?cas_rn=85-60-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Mark AO 40",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:85-60-9",
"https://commonchemistry.cas.org/detail?cas_rn=85-60-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Noclizer NS 30",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:85-60-9",
"https://commonchemistry.cas.org/detail?cas_rn=85-60-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Nocrac NS 30",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:85-60-9",
"https://commonchemistry.cas.org/detail?cas_rn=85-60-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Nonflex BB",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:85-60-9",
"https://commonchemistry.cas.org/detail?cas_rn=85-60-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Phenol, 4,4′-butylidenebis[2-(1,1-dimethylethyl)-5-methyl-",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:85-60-9",
"https://commonchemistry.cas.org/detail?cas_rn=85-60-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "SWP",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:85-60-9",
"https://commonchemistry.cas.org/detail?cas_rn=85-60-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "SWP (antioxidant)",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:85-60-9",
"https://commonchemistry.cas.org/detail?cas_rn=85-60-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Santowhite",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:85-60-9",
"https://commonchemistry.cas.org/detail?cas_rn=85-60-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Santowhite AW 300",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:85-60-9",
"https://commonchemistry.cas.org/detail?cas_rn=85-60-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Santowhite Powder",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:85-60-9",
"https://commonchemistry.cas.org/detail?cas_rn=85-60-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Selosol G 969",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:85-60-9",
"https://commonchemistry.cas.org/detail?cas_rn=85-60-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Sumilizer BBM",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:85-60-9",
"https://commonchemistry.cas.org/detail?cas_rn=85-60-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Sumilizer BBM-S",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:85-60-9",
"https://commonchemistry.cas.org/detail?cas_rn=85-60-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Vanox SWP",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:85-60-9",
"https://commonchemistry.cas.org/detail?cas_rn=85-60-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Yoshinox BB",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:85-60-9",
"https://commonchemistry.cas.org/detail?cas_rn=85-60-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
}
],
"properties": {
"https://w3id.org/chemrof/molecular_formula": {
"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C26H38O2"
],
"attested_by": {
"C26H38O2": [
"enrich_references.pubchem_semantic",
"rdkit_post_consensus"
]
},
"rdfs:label": "Molecular formula",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:6815"
],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCC(c1cc(C(C)(C)C)c(O)cc1C)c1cc(C(C)(C)C)c(O)cc1C"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"PFANXOISJYKQRP-UHFFFAOYSA-N"
],
"attested_by": {
"PFANXOISJYKQRP-UHFFFAOYSA-N": [
"enrich_references.pubchem_semantic",
"rdkit_post_consensus"
]
},
"rdfs:label": "InChIKey",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:6815"
],
"prov:wasDerivedFrom": "pubchem.props.InChIKey"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCC(c1cc(C(C)(C)C)c(O)cc1C)c1cc(C(C)(C)C)c(O)cc1C"
]
}
]
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"rdfs:label": "SMILES",
"@value": [
"CCCC(c1cc(C(C)(C)C)c(O)cc1C)c1cc(C(C)(C)C)c(O)cc1C"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"4,4'-butane-1,1-diylbis(2-tert-butyl-5-methylphenol)"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCC(c1cc(C(C)(C)C)c(O)cc1C)c1cc(C(C)(C)C)c(O)cc1C"
]
}
],
"attested_by": {
"CCCC(c1cc(C(C)(C)C)c(O)cc1C)c1cc(C(C)(C)C)c(O)cc1C": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"rdfs:label": "InChI",
"@value": [
"InChI=1S/C26H38O2/c1-10-11-18(19-14-21(25(4,5)6)23(27)12-16(19)2)20-15-22(26(7,8)9)24(28)13-17(20)3/h12-15,18,27-28H,10-11H2,1-9H3"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"4,4'-butane-1,1-diylbis(2-tert-butyl-5-methylphenol)"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCC(c1cc(C(C)(C)C)c(O)cc1C)c1cc(C(C)(C)C)c(O)cc1C"
]
}
],
"attested_by": {
"InChI=1S/C26H38O2/c1-10-11-18(19-14-21(25(4,5)6)23(27)12-16(19)2)20-15-22(26(7,8)9)24(28)13-17(20)3/h12-15,18,27-28H,10-11H2,1-9H3": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"rdfs:label": "IUPAC name",
"@value": [
"4,4'-butane-1,1-diylbis(2-tert-butyl-5-methylphenol)"
],
"provenance": {
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"4,4'-butane-1,1-diylbis(2-tert-butyl-5-methylphenol)"
]
},
"attested_by": {
"4,4'-butane-1,1-diylbis(2-tert-butyl-5-methylphenol)": [
"opsin_iupac"
]
}
},
"https://w3id.org/chemrof/molecular_mass": {
"@id": "https://w3id.org/chemrof/molecular_mass",
"rdfs:label": "Molecular mass",
"@value": [
382.588
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCC(C1=CC(=C(C=C1C)O)C(C)(C)C)C2=CC(=C(C=C2C)O)C(C)(C)C"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCC(c1cc(C(C)(C)C)c(O)cc1C)c1cc(C(C)(C)C)c(O)cc1C"
]
}
],
"attested_by": {
"382.588": [
"rdkit_post_consensus",
"rdkit_pre_consensus"
]
},
"http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
},
"https://w3id.org/chemrof/monoisotopic_mass": {
"@id": "https://w3id.org/chemrof/monoisotopic_mass",
"rdfs:label": "Monoisotopic mass",
"@value": [
382.28718
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCC(C1=CC(=C(C=C1C)O)C(C)(C)C)C2=CC(=C(C=C2C)O)C(C)(C)C"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCC(c1cc(C(C)(C)C)c(O)cc1C)c1cc(C(C)(C)C)c(O)cc1C"
]
}
],
"attested_by": {
"382.28718": [
"rdkit_post_consensus",
"rdkit_pre_consensus"
]
},
"http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
}
},
"references": [
{
"@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J4.365F",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:6815;CAS:85-60-9"
],
"prov:wasDerivedFrom": "pubchem.identifiers[85-60-9]"
}
},
{
"@id": "https://chem.echa.europa.eu/100.001.471",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:6815;CAS:85-60-9"
],
"prov:wasDerivedFrom": "pubchem.identifiers[85-60-9]"
}
},
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=85-60-9",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"85-60-9"
],
"prov:wasDerivedFrom": "cas_numbers"
}
},
{
"@id": "https://comptox.epa.gov/dashboard/DTXSID8029602",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:6815;CAS:85-60-9"
],
"prov:wasDerivedFrom": "pubchem.identifiers[85-60-9]"
}
},
{
"@id": "https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=67485",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:6815;CAS:85-60-9"
],
"prov:wasDerivedFrom": "pubchem.identifiers[85-60-9]"
}
},
{
"@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/IM86P8WF2S",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:6815;CAS:85-60-9"
],
"prov:wasDerivedFrom": "pubchem.identifiers[85-60-9]"
}
},
{
"@id": "https://hmdb.ca/metabolites/HMDB0247522",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:6815;CAS:85-60-9"
],
"prov:wasDerivedFrom": "pubchem.identifiers[85-60-9]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/6815",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:6815;CAS:85-60-9"
],
"prov:wasDerivedFrom": "pubchem.by_cas[85-60-9]"
}
},
{
"@id": "https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1337629",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:6815;CAS:85-60-9"
],
"prov:wasDerivedFrom": "pubchem.identifiers[85-60-9]"
}
},
{
"@id": "https://www.wikidata.org/wiki/Q27280791",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:6815;CAS:85-60-9"
],
"prov:wasDerivedFrom": "pubchem.identifiers[85-60-9]"
}
}
],
"prefLabel": [
{
"@value": "4,4'-butane-1,1-diylbis(2-tert-butyl-5-methylphenol)",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "bootstrap_labels",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "legacy name field"
}
}
],
"@type": [
"https://w3id.org/chemrof/NeutralMolecule"
],
"http://www.w3.org/2004/02/skos/core#definition": [],
"uuid": "a73a5842-16bc-4c0f-956a-de1419e2eea8",
"identifier": "a73a5842-16bc-4c0f-956a-de1419e2eea8",
"source": "EF 3.1",
"cas_numbers": [
"85-60-9"
],
"ec_numbers": [
"201-618-5"
],
"context": {
"dimension": "Environmental",
"media": "Air",
"indoor": "Unknown"
},
"synonyms": [],
"lcia_methods": [
{
"method_uuid": "05316e7a-b254-4bea-9cf0-6bf33eb5c630",
"name": "Ecotoxicity, freshwater",
"methodology": "Environmental Footprint",
"impact_category": "Aquatic eco-toxicity",
"impact_indicator": "Comparative Toxic Unit for ecosystems (CTUe) ",
"characterization_factor": 0.62095
},
{
"method_uuid": "fd530f00-9325-424a-92ef-aaac67922fd9",
"name": "Ecotoxicity, freshwater_organics",
"methodology": "Environmental Footprint",
"impact_category": "Aquatic eco-toxicity",
"impact_indicator": "Comparative Toxic Unit for ecosystems (CTUe) ",
"characterization_factor": 0.62095
}
],
"unit": "kg",
"input_datasets": [
"EF 3.1"
],
"context_iri": "https://vocab.brightway.one/flow-contexts/envi-air-indr-unkn",
"unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
"flow_object_id": "fo-428e2dc9c6e3a669",
"concept_associations": [
{
"@type": "xkos:ConceptAssociation",
"xkos:sourceConcept": {
"@id": "https://vocab.brightway.one/ef/3.1/flow/a73a5842-16bc-4c0f-956a-de1419e2eea8",
"skos:prefLabel": "4,4'-butane-1,1-diylbis(2-tert-butyl-5-methylphenol)",
"context": "Emissions/Emissions to air/Emissions to air, indoor",
"qudt:hasUnit": {
"@id": "https://vocab.brightway.one/units/unit/KiloGM"
},
"skos:exactMatch": {
"@id": "https://vocab.brightway.dev/elementary-flows/a73a5842-16bc-4c0f-956a-de1419e2eea8"
}
},
"xkos:targetConcept": {
"@id": "https://vocab.brightway.dev/elementary-flows/a73a5842-16bc-4c0f-956a-de1419e2eea8"
},
"provenance": {
"prov:wasGeneratedBy": "build_concept_associations",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"https://eplca.jrc.ec.europa.eu/permalink/EF3_1/EF-v3.1.zip"
]
}
}
],
"_sources": {
"prefLabel": "bootstrap_labels",
"name": "bootstrap_labels",
"synonyms": "bootstrap_labels",
"context": "default_context_mapping",
"context_iri": "default_context_mapping",
"unit_iri": "unit_normalization",
"properties": "normalise_property_values",
"skos_definition": "enrich_references",
"references": "enrich_references",
"altLabel": "strip_catalogue_altlabels",
"cas_match_labels": "consensus_match",
"concept_associations": "carry_associations_onto_flows",
"types": "link_flows_to_their_substance"
},
"cas_match_labels": {
"85-60-9": "exactMatch"
},
"_transformed": true,
"_provided": {
"name": "4,4'-butane-1,1-diylbis(2-tert-butyl-5-methylphenol)",
"synonyms": [
"organic"
],
"context": [
"Emissions",
"Emissions to air",
"Emissions to air, indoor"
],
"cas_numbers": [
"85-60-9"
],
"ec_numbers": [
"201-618-5"
],
"unit": "kg"
}
}