← Back to consensus flow objects
Phenol, Isopropylated, Phosphate (3:1)
| Flow Object ID | fo-132a2db83777a633 | ||||
|---|---|---|---|---|---|
| Type | Consensus | ||||
| prefLabel |
|
||||
| CAS Numbers | 68937-41-7 | ||||
| EC Numbers | 273-066-3 | ||||
| Changes Applied | 13 |
Properties
| Predicate | Value |
|---|---|
| InChIKey |
ANVREEJNGJMLOV-UHFFFAOYSA-N, JMEROBIHUFJHHG-UHFFFAOYSA-L, PTTBYWLTNOONCU-UHFFFAOYSA-N, UETPRJJVZPVPQI-UHFFFAOYSA-L, UETPRJJVZPVPQI-UHFFFAOYSA-N, WRXFONORSZHETC-UHFFFAOYSA-N
|
| InChI |
InChI=1S/C27H33O4P/c1-19(2)22-14-16-24(17-15-22)29-32(28,30-25-11-9-10-23(18-25)20(3)4)31-27-13-8-7-12-26(27)21(5)6/h7-21H,1-6H3, InChI=1S/C27H33O4P/c1-19(2)22-7-13-25(14-8-22)29-32(28,30-26-15-9-23(10-16-26)20(3)4)31-27-17-11-24(12-18-27)21(5)6/h7-21H,1-6H3, InChI=1S/C9H13O4P/c1-7(2)8-3-5-9(6-4-8)13-14(10,11)12/h3-7H,1-2H3,(H2,10,11,12)/p-2, InChI=1S/C9H13O4P/c1-7(2)8-5-3-4-6-9(8)13-14(10,11)12/h3-7H,1-2H3,(H2,10,11,12), InChI=1S/C9H13O4P/c1-7(2)8-5-3-4-6-9(8)13-14(10,11)12/h3-7H,1-2H3,(H2,10,11,12)/p-2, InChI=1S/C9H13O4P/c1-8(2)12-14(10,11)13-9-6-4-3-5-7-9/h3-8H,1-2H3,(H,10,11)
|
| IUPAC name |
(2-isopropylphenyl) (3-isopropylphenyl) (4-isopropylphenyl) phosphate, (2-isopropylphenyl) dihydrogen phosphate, (2-isopropylphenyl) phosphate, (2-propan-2-ylphenyl) (3-propan-2-ylphenyl) (4-propan-2-ylphenyl) phosphate, (2-propan-2-ylphenyl) dihydrogen phosphate, (2-propan-2-ylphenyl) phosphate, (4-isopropylphenyl) phosphate, (4-propan-2-ylphenyl) phosphate, isopropyl phenyl hydrogen phosphate, o-cumenyl dihydrogen phosphate, o-cumenyl phosphate, p-cumenyl phosphate, phenyl propan-2-yl hydrogen phosphate, phosphoric acid (2-propan-2-ylphenyl) (3-propan-2-ylphenyl) (4-propan-2-ylphenyl) ester, phosphoric acid m-cumenyl o-cumenyl p-cumenyl ester, phosphoric acid tris(4-propan-2-ylphenyl) ester, phosphoric acid tris(p-cumenyl) ester, tris(4-isopropylphenyl) phosphate, tris(4-propan-2-ylphenyl) phosphate
|
| Molecular formula |
C27H33O4P, C9H11O4P-2, C9H13O4P
|
| SMILES |
CC(C)C1=CC=C(C=C1)OP(=O)(OC2=CC=C(C=C2)C(C)C)OC3=CC=C(C=C3)C(C)C, CC(C)C1=CC=C(C=C1)OP(=O)(OC2=CC=CC(=C2)C(C)C)OC3=CC=CC=C3C(C)C, CC(C)C1=CC=C(C=C1)OP(=O)([O-])[O-], CC(C)C1=CC=CC=C1OP(=O)(O)O, CC(C)C1=CC=CC=C1OP(=O)([O-])[O-], CC(C)OP(=O)(O)OC1=CC=CC=C1
|
References
- http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.619.376C
- http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J180.509F
- https://chem.echa.europa.eu/100.017.912
- https://chem.echa.europa.eu/100.043.756
- https://commonchemistry.cas.org/detail?cas_rn=2502-15-0
- https://commonchemistry.cas.org/detail?cas_rn=68937-41-7
- https://comptox.epa.gov/dashboard/DTXSID80858783
- https://comptox.epa.gov/dashboard/DTXSID90963559
- https://gsrs.ncats.nih.gov/ginas/app/beta/substances/Y3H2FDX0NW
- https://pubchem.ncbi.nlm.nih.gov/compound/155970337
- https://pubchem.ncbi.nlm.nih.gov/compound/19905830
- https://pubchem.ncbi.nlm.nih.gov/compound/20293816
- https://pubchem.ncbi.nlm.nih.gov/compound/22629810
- https://pubchem.ncbi.nlm.nih.gov/compound/75628
- https://pubchem.ncbi.nlm.nih.gov/compound/93246
- https://pubchem.ncbi.nlm.nih.gov/erg/#3077
- https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL458602
- https://www.wikidata.org/wiki/Q27294219
- https://www.wikidata.org/wiki/Q82945445
Linked Elementary Flows
| UUID | Source | Unit | Context | LCIA Factors | Consensus Changes |
|---|---|---|---|---|---|
13d308fb… |
EF 3.1 | kg | Environmental → Air → Aircraft cruise height | 4 | 1 |
2396d038… |
EF 3.1 | kg | Environmental → Air → Ground level → Rural (<1000 people/square mile) | 0 | 1 |
38bb96aa… |
EF 3.1 | kg | Environmental → Air → Ground level → Urban (>1000 people/square mile) | 4 | 1 |
fa5298e3… |
EF 3.1 | kg | Environmental → Air → High stack, >150 meters | 4 | 1 |
3cf94418… |
EF 3.1 | kg | Environmental → Air → Unknown | 4 | 1 |
c618d64d… |
EF 3.1 | kg | Environmental → Air → Unknown | 4 | 1 |
73a3c67b… |
EF 3.1 | kg | Environmental → Ground → Agricultural | 4 | 1 |
12bf6ff9… |
EF 3.1 | kg | Environmental → Ground → Unknown | 4 | 1 |
85715179… |
EF 3.1 | kg | Environmental → Water → Ocean | 4 | 1 |
c9cedf16… |
EF 3.1 | kg | Environmental → Water → Surface water | 4 | 1 |
ef8218ad… |
EF 3.1 | kg | Environmental → Water → Unknown | 4 | 1 |
▶
Changes Applied
| Elementary Flow | Field | Old Value | New Value | Comment |
|---|---|---|---|---|
12bf6ff9… |
cas_match_labels |
— |
{"68937-41-7":"exactMatch"} |
group_key=phenol,isopropylated,phosphate(3:1)||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory']; cas_sources={'68937-41-7': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-132a2db83777a633: {'68937-41-7': 'exactMatch'} |
13d308fb… |
cas_match_labels |
— |
{"68937-41-7":"exactMatch"} |
group_key=phenol,isopropylated,phosphate(3:1)||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory']; cas_sources={'68937-41-7': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-132a2db83777a633: {'68937-41-7': 'exactMatch'} |
2396d038… |
cas_match_labels |
— |
{"68937-41-7":"exactMatch"} |
group_key=phenol,isopropylated,phosphate(3:1)||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory']; cas_sources={'68937-41-7': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-132a2db83777a633: {'68937-41-7': 'exactMatch'} |
38bb96aa… |
cas_match_labels |
— |
{"68937-41-7":"exactMatch"} |
group_key=phenol,isopropylated,phosphate(3:1)||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory']; cas_sources={'68937-41-7': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-132a2db83777a633: {'68937-41-7': 'exactMatch'} |
3cf94418… |
cas_match_labels |
— |
{"68937-41-7":"exactMatch"} |
group_key=phenol,isopropylated,phosphate(3:1)||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory']; cas_sources={'68937-41-7': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-132a2db83777a633: {'68937-41-7': 'exactMatch'} |
73804f3c… |
cas_match_labels |
— |
{"68937-41-7":"exactMatch"} |
group_key=phenol,isopropylated,phosphate(3:1)||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory']; cas_sources={'68937-41-7': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-132a2db83777a633: {'68937-41-7': 'exactMatch'} |
73a3c67b… |
cas_match_labels |
— |
{"68937-41-7":"exactMatch"} |
group_key=phenol,isopropylated,phosphate(3:1)||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory']; cas_sources={'68937-41-7': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-132a2db83777a633: {'68937-41-7': 'exactMatch'} |
85715179… |
cas_match_labels |
— |
{"68937-41-7":"exactMatch"} |
group_key=phenol,isopropylated,phosphate(3:1)||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory']; cas_sources={'68937-41-7': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-132a2db83777a633: {'68937-41-7': 'exactMatch'} |
c4edf67a… |
cas_match_labels |
— |
{"68937-41-7":"exactMatch"} |
group_key=phenol,isopropylated,phosphate(3:1)||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory']; cas_sources={'68937-41-7': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-132a2db83777a633: {'68937-41-7': 'exactMatch'} |
c618d64d… |
cas_match_labels |
— |
{"68937-41-7":"exactMatch"} |
group_key=phenol,isopropylated,phosphate(3:1)||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory']; cas_sources={'68937-41-7': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-132a2db83777a633: {'68937-41-7': 'exactMatch'} |
c9cedf16… |
cas_match_labels |
— |
{"68937-41-7":"exactMatch"} |
group_key=phenol,isopropylated,phosphate(3:1)||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory']; cas_sources={'68937-41-7': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-132a2db83777a633: {'68937-41-7': 'exactMatch'} |
ef8218ad… |
cas_match_labels |
— |
{"68937-41-7":"exactMatch"} |
group_key=phenol,isopropylated,phosphate(3:1)||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory']; cas_sources={'68937-41-7': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-132a2db83777a633: {'68937-41-7': 'exactMatch'} |
fa5298e3… |
cas_match_labels |
— |
{"68937-41-7":"exactMatch"} |
group_key=phenol,isopropylated,phosphate(3:1)||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory']; cas_sources={'68937-41-7': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-132a2db83777a633: {'68937-41-7': 'exactMatch'} |
Flow Object JSON
{
"flow_object_id": "fo-132a2db83777a633",
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],
"altLabel": [],
"properties": {
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"C9H11O4P-2",
"C9H13O4P"
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"(2-isopropylphenyl) (3-isopropylphenyl) (4-isopropylphenyl) phosphate",
"(2-isopropylphenyl) dihydrogen phosphate",
"(2-isopropylphenyl) phosphate",
"(2-propan-2-ylphenyl) (3-propan-2-ylphenyl) (4-propan-2-ylphenyl) phosphate",
"(2-propan-2-ylphenyl) dihydrogen phosphate",
"(2-propan-2-ylphenyl) phosphate",
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"(4-propan-2-ylphenyl) phosphate",
"isopropyl phenyl hydrogen phosphate",
"o-cumenyl dihydrogen phosphate",
"o-cumenyl phosphate",
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"phenyl propan-2-yl hydrogen phosphate",
"phosphoric acid (2-propan-2-ylphenyl) (3-propan-2-ylphenyl) (4-propan-2-ylphenyl) ester",
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"phosphoric acid tris(4-propan-2-ylphenyl) ester",
"phosphoric acid tris(p-cumenyl) ester",
"tris(4-isopropylphenyl) phosphate",
"tris(4-propan-2-ylphenyl) phosphate"
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