Isopropylphenyl Diphenyl Phosphate
fo-d99c47bab131d002
Identity
- Type
- Neutral molecule
- CAS
- 28108-99-8
- EC
- 248-848-2
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 55 across every transformer
Structure
Alternative labels
7- Cumyl diphenyl phosphate
- Diphenyl isopropylphenyl phosphate
- IPPP
- mITP
- Monoisopropyltriphenyl phosphate
- Phosflex 31L
- Phosphoric acid, (1-methylethyl)phenyl diphenyl ester
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | JJXNVYMIYBNZQX-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C21H21O4P/c1-17(2)20-15-9-10-16-21(20)25-26(22,23-18-11-5-3-6-12-18)24-19-13-7-4-8-14-19/h3-17H,1-2H3 |
| IUPAC name chemrof:IUPAC_name | Isopropylphenyl Diphenyl Phosphate |
| Molecular formula chemrof:molecular_formula | C21H21O4P |
| Molecular mass chemrof:molecular_mass | 368.369 |
| Monoisotopic mass chemrof:monoisotopic_mass | 368.117746 |
| SMILES string chemrof:smiles_string | CC(C)c1ccccc1OP(=O)(Oc1ccccc1)Oc1ccccc1 |
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=28108-99-8 | enrich_references.consensus_cas_link |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=64532-94-1 | enrich_references.pubchem_identifier_url |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=66797-44-2 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.044.393 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID90858794 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/8W6EIH93ZY | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J560.504K | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/34148 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q27271111 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| ff0f6ce3-321e-4f2c-b2da-c63790c9200e | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| 9e001f34-f3bf-4395-b8ea-243150f8f051 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| 43c0e5c8-3825-47ee-b99a-3c574098c389 | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| 9ac0dadf-fb5d-4913-8bd8-1d4431336043 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 3e6491e4-da0e-43a8-84c6-22c0aa7d095b | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| a99036c9-b13b-4cfd-a5dd-3ea33df6341e | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| dbabf27e-f6cb-44a8-9bad-5b5f57dc4624 | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| 1172a090-f480-4e8d-bf04-d9b1e9b59021 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| 66f704c7-7d3a-4114-8164-e1e077c8951d | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| b6cc0c17-c1f4-4d91-95f3-04196ed67eb0 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 7937f5ea-0841-442a-a585-97f2956759ab | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| 32a59fab-07f5-4b9e-bfba-65665634b025 | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| 287e8af7-d1d7-4198-890a-be1d373d3c46 | Environmental → Water → Unknown | EF 3.1 | kg | 2 |
History
Everything that changed this substance (55 changes)
Full record
Flow object JSON
{
"flow_object_id": "fo-d99c47bab131d002",
"prefLabel": [
{
"@value": "Isopropylphenyl Diphenyl Phosphate",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "bootstrap_labels",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "legacy name field"
}
}
],
"altLabel": [
{
"@value": "Cumyl diphenyl phosphate",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:28108-99-8",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=28108-99-8"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Diphenyl isopropylphenyl phosphate",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:28108-99-8",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=28108-99-8"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "IPPP",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:28108-99-8",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=28108-99-8"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "mITP",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:28108-99-8",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=28108-99-8"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Monoisopropyltriphenyl phosphate",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:28108-99-8",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=28108-99-8"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Phosflex 31L",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:28108-99-8",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=28108-99-8"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Phosphoric acid, (1-methylethyl)phenyl diphenyl ester",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:28108-99-8",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=28108-99-8"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
}
],
"properties": {
"https://w3id.org/chemrof/molecular_formula": {
"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C21H21O4P"
],
"attested_by": {
"C21H21O4P": [
"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:34148"
],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC(C)c1ccccc1OP(=O)(Oc1ccccc1)Oc1ccccc1"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"JJXNVYMIYBNZQX-UHFFFAOYSA-N"
],
"attested_by": {
"JJXNVYMIYBNZQX-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:34148"
],
"prov:wasDerivedFrom": "pubchem.props.InChIKey"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC(C)c1ccccc1OP(=O)(Oc1ccccc1)Oc1ccccc1"
]
}
]
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"rdfs:label": "SMILES",
"@value": [
"CC(C)c1ccccc1OP(=O)(Oc1ccccc1)Oc1ccccc1"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Isopropylphenyl Diphenyl Phosphate"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC(C)c1ccccc1OP(=O)(Oc1ccccc1)Oc1ccccc1"
]
}
],
"attested_by": {
"CC(C)c1ccccc1OP(=O)(Oc1ccccc1)Oc1ccccc1": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"rdfs:label": "InChI",
"@value": [
"InChI=1S/C21H21O4P/c1-17(2)20-15-9-10-16-21(20)25-26(22,23-18-11-5-3-6-12-18)24-19-13-7-4-8-14-19/h3-17H,1-2H3"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Isopropylphenyl Diphenyl Phosphate"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC(C)c1ccccc1OP(=O)(Oc1ccccc1)Oc1ccccc1"
]
}
],
"attested_by": {
"InChI=1S/C21H21O4P/c1-17(2)20-15-9-10-16-21(20)25-26(22,23-18-11-5-3-6-12-18)24-19-13-7-4-8-14-19/h3-17H,1-2H3": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"rdfs:label": "IUPAC name",
"@value": [
"Isopropylphenyl Diphenyl Phosphate"
],
"provenance": {
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Isopropylphenyl Diphenyl Phosphate"
]
},
"attested_by": {
"Isopropylphenyl Diphenyl Phosphate": [
"opsin_iupac"
]
}
},
"https://w3id.org/chemrof/molecular_mass": {
"@id": "https://w3id.org/chemrof/molecular_mass",
"rdfs:label": "Molecular mass",
"@value": [
368.369
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC(C)C1=CC=CC=C1OP(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC(C)c1ccccc1OP(=O)(Oc1ccccc1)Oc1ccccc1"
]
}
],
"attested_by": {
"368.369": [
"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": [
368.117746
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC(C)C1=CC=CC=C1OP(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC(C)c1ccccc1OP(=O)(Oc1ccccc1)Oc1ccccc1"
]
}
],
"attested_by": {
"368.117746": [
"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=J560.504K",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:34148;CAS:28108-99-8"
],
"prov:wasDerivedFrom": "pubchem.identifiers[28108-99-8]"
}
},
{
"@id": "https://chem.echa.europa.eu/100.044.393",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:34148;CAS:28108-99-8"
],
"prov:wasDerivedFrom": "pubchem.identifiers[28108-99-8]"
}
},
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=28108-99-8",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"28108-99-8"
],
"prov:wasDerivedFrom": "cas_numbers"
}
},
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=64532-94-1",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:34148;CAS:28108-99-8"
],
"prov:wasDerivedFrom": "pubchem.identifiers[28108-99-8]"
}
},
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=66797-44-2",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:34148;CAS:28108-99-8"
],
"prov:wasDerivedFrom": "pubchem.identifiers[28108-99-8]"
}
},
{
"@id": "https://comptox.epa.gov/dashboard/DTXSID90858794",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:34148;CAS:28108-99-8"
],
"prov:wasDerivedFrom": "pubchem.identifiers[28108-99-8]"
}
},
{
"@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/8W6EIH93ZY",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:34148;CAS:28108-99-8"
],
"prov:wasDerivedFrom": "pubchem.identifiers[28108-99-8]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/34148",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:34148;CAS:28108-99-8"
],
"prov:wasDerivedFrom": "pubchem.by_cas[28108-99-8]"
}
},
{
"@id": "https://www.wikidata.org/wiki/Q27271111",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:34148;CAS:28108-99-8"
],
"prov:wasDerivedFrom": "pubchem.identifiers[28108-99-8]"
}
}
],
"created_from": {
"resolver": "hybrid_name_cas_v1",
"seed_uuid": "1172a090-f480-4e8d-bf04-d9b1e9b59021",
"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": [
"28108-99-8"
],
"rdfs:seeAlso": [
"https://commonchemistry.cas.org/detail?cas_rn=28108-99-8"
],
"http://www.w3.org/2004/02/skos/core#exactMatch": [
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=28108-99-8"
}
],
"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": [
"248-848-2"
],
"rdfs:seeAlso": [
"https://echa.europa.eu/search-for-chemicals?query=248-848-2"
],
"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