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Phenol, 4-methyl-, Reaction Products With Dicyclopentadiene And Isobutylene

Flow Object IDfo-f3fdfdcb813f91de
TypeConsensus
prefLabel
Label Language
Phenol, 4-methyl-, Reaction Products With Dicyclopentadiene And Isobutylene en
CAS Numbers68610-51-5
EC Numbers271-867-2
Changes Applied13

Properties

Predicate Value
InChIKey BAGWIHONASZLCD-UHFFFAOYSA-N, MIMYGYFFSSSJCX-UHFFFAOYSA-N, UGLWHNQJGVVAKC-UHFFFAOYSA-N, UQQYHXZNSYZMEN-UHFFFAOYSA-N, WHFFZLLDPXGFIX-UHFFFAOYSA-N, ZWHANXMMZRUTAY-UHFFFAOYSA-N
InChI InChI=1S/C10H12.C6H6O.C4H8/c1-2-9-7-4-5-8(6-7)10(9)3-1;7-6-4-2-1-3-5-6;1-4(2)3/h1-2,4-5,7-10H,3,6H2;1-5,7H;1H2,2-3H3, InChI=1S/C10H12.C7H8O.C4H8/c1-2-9-7-4-5-8(6-7)10(9)3-1;1-6-2-4-7(8)5-3-6;1-4(2)3/h1-2,4-5,7-10H,3,6H2;2-5,8H,1H3;1H2,2-3H3, InChI=1S/C10H16.C7H8O/c1-2-9-7-4-5-8(6-7)10(9)3-1;1-6-2-4-7(8)5-3-6/h7-10H,1-6H2;2-5,8H,1H3, InChI=1S/C11H18.C7H8O/c1-2-10-8-4-6-9(7-5-8)11(10)3-1;1-6-2-4-7(8)5-3-6/h8-11H,1-7H2;2-5,8H,1H3, InChI=1S/C3H3ClO/c1-3(4)2-5/h2H,1H2, InChI=1S/C49H64O3/c1-24-10-33(29-16-31-28-19-38(35(31)22-29)40(21-28)42-13-26(3)15-44(47(42)52)49(7,8)9)45(50)41(12-24)39-20-27-18-37(39)36-23-30(17-32(27)36)34-11-25(2)14-43(46(34)51)48(4,5)6/h10-15,27-32,35-40,50-52H,16-23H2,1-9H3
IUPAC name 2-[4-(3-tert-butyl-2-hydroxy-5-methyl-phenyl)-8-tricyclo[5.2.1.02,6]decanyl]-6-[8-(3-tert-butyl-2-hydroxy-5-methyl-phenyl)-4-tricyclo[5.2.1.02,6]decanyl]-4-methyl-phenol, 2-[4-(3-tert-butyl-2-hydroxy-5-methylphenyl)-8-tricyclo[5.2.1.02,6]decanyl]-6-[8-(3-tert-butyl-2-hydroxy-5-methylphenyl)-4-tricyclo[5.2.1.02,6]decanyl]-4-methylphenol, 2-[4-(3-tert-butyl-5-methyl-2-oxidanyl-phenyl)-8-tricyclo[5.2.1.02,6]decanyl]-6-[8-(3-tert-butyl-5-methyl-2-oxidanyl-phenyl)-4-tricyclo[5.2.1.02,6]decanyl]-4-methyl-phenol, 2-chloranylprop-2-enal, 2-chloro-2-propenal, 2-chloroacrolein, 2-chloroprop-2-enal, 2-methyl-1-propene;phenol;tricyclo[5.2.1.02,6]deca-3,8-diene, 2-methylprop-1-ene;p-cresol;tricyclo[5.2.1.02,6]deca-3,8-diene, 2-methylprop-1-ene;phenol;tricyclo[5.2.1.02,6]deca-3,8-diene, 4-methylphenol;2-methyl-1-propene;tricyclo[5.2.1.02,6]deca-3,8-diene, 4-methylphenol;2-methylprop-1-ene;tricyclo[5.2.1.02,6]deca-3,8-diene, 4-methylphenol;tricyclo[5.2.1.02,6]decane, 4-methylphenol;tricyclo[5.2.2.02,6]undecane, isobutylene;p-cresol;tricyclo[5.2.1.02,6]deca-3,8-diene, isobutylene;phenol;tricyclo[5.2.1.02,6]deca-3,8-diene, p-cresol;tricyclo[5.2.1.02,6]decane, p-cresol;tricyclo[5.2.2.02,6]undecane
Molecular formula C17H24O, C18H26O, C20H26O, C21H28O, C3H3ClO, C49H64O3
SMILES C=C(C=O)Cl, CC(=C)C.C1C=CC2C1C3CC2C=C3.C1=CC=C(C=C1)O, CC1=CC(=C(C(=C1)C2CC3CC2C4C3CC(C4)C5=C(C(=CC(=C5)C)C(C)(C)C)O)O)C6CC7C8CC(C7C6)C(C8)C9=C(C(=CC(=C9)C)C(C)(C)C)O, CC1=CC=C(C=C1)O.C1CC2C3CCC(C2C1)CC3, CC1=CC=C(C=C1)O.C1CC2C3CCC(C3)C2C1, CC1=CC=C(C=C1)O.CC(=C)C.C1C=CC2C1C3CC2C=C3

References

Linked Elementary Flows

UUID Source Unit Context LCIA Factors Consensus Changes
81af8d52… EF 3.1 kg Environmental → Air → Aircraft cruise height 4 1
0e08fc58… EF 3.1 kg Environmental → Air → Ground level → Rural (<1000 people/square mile) 0 1
765e89fd… EF 3.1 kg Environmental → Air → Ground level → Urban (>1000 people/square mile) 4 1
6c01b294… EF 3.1 kg Environmental → Air → High stack, >150 meters 4 1
80afa3c0… EF 3.1 kg Environmental → Air → Unknown 4 1
86388eef… EF 3.1 kg Environmental → Air → Unknown 4 1
312875e2… EF 3.1 kg Environmental → Ground → Agricultural 4 1
38dd693e… EF 3.1 kg Environmental → Ground → Unknown 4 1
e4fdce18… EF 3.1 kg Environmental → Water → Ocean 4 1
1f1d1410… EF 3.1 kg Environmental → Water → Surface water 4 1
1d07925b… EF 3.1 kg Environmental → Water → Unknown 4 1
▶

Changes Applied
Elementary Flow Field Old Value New Value Comment
0e08fc58… cas_match_labels — {"68610-51-5":"exactMatch"} group_key=phenol,4-methyl-,reactionproductswithdicyclopentadieneandisobutylene||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['ec_inventory']; cas_sources={'68610-51-5': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-f3fdfdcb813f91de: {'68610-51-5': 'exactMatch'}
1d07925b… cas_match_labels — {"68610-51-5":"exactMatch"} group_key=phenol,4-methyl-,reactionproductswithdicyclopentadieneandisobutylene||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['ec_inventory']; cas_sources={'68610-51-5': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-f3fdfdcb813f91de: {'68610-51-5': 'exactMatch'}
1f1d1410… cas_match_labels — {"68610-51-5":"exactMatch"} group_key=phenol,4-methyl-,reactionproductswithdicyclopentadieneandisobutylene||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['ec_inventory']; cas_sources={'68610-51-5': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-f3fdfdcb813f91de: {'68610-51-5': 'exactMatch'}
312875e2… cas_match_labels — {"68610-51-5":"exactMatch"} group_key=phenol,4-methyl-,reactionproductswithdicyclopentadieneandisobutylene||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['ec_inventory']; cas_sources={'68610-51-5': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-f3fdfdcb813f91de: {'68610-51-5': 'exactMatch'}
38dd693e… cas_match_labels — {"68610-51-5":"exactMatch"} group_key=phenol,4-methyl-,reactionproductswithdicyclopentadieneandisobutylene||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['ec_inventory']; cas_sources={'68610-51-5': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-f3fdfdcb813f91de: {'68610-51-5': 'exactMatch'}
6c01b294… cas_match_labels — {"68610-51-5":"exactMatch"} group_key=phenol,4-methyl-,reactionproductswithdicyclopentadieneandisobutylene||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['ec_inventory']; cas_sources={'68610-51-5': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-f3fdfdcb813f91de: {'68610-51-5': 'exactMatch'}
765e89fd… cas_match_labels — {"68610-51-5":"exactMatch"} group_key=phenol,4-methyl-,reactionproductswithdicyclopentadieneandisobutylene||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['ec_inventory']; cas_sources={'68610-51-5': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-f3fdfdcb813f91de: {'68610-51-5': 'exactMatch'}
80afa3c0… cas_match_labels — {"68610-51-5":"exactMatch"} group_key=phenol,4-methyl-,reactionproductswithdicyclopentadieneandisobutylene||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['ec_inventory']; cas_sources={'68610-51-5': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-f3fdfdcb813f91de: {'68610-51-5': 'exactMatch'}
81af8d52… cas_match_labels — {"68610-51-5":"exactMatch"} group_key=phenol,4-methyl-,reactionproductswithdicyclopentadieneandisobutylene||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['ec_inventory']; cas_sources={'68610-51-5': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-f3fdfdcb813f91de: {'68610-51-5': 'exactMatch'}
86388eef… cas_match_labels — {"68610-51-5":"exactMatch"} group_key=phenol,4-methyl-,reactionproductswithdicyclopentadieneandisobutylene||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['ec_inventory']; cas_sources={'68610-51-5': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-f3fdfdcb813f91de: {'68610-51-5': 'exactMatch'}
a22829f4… cas_match_labels — {"68610-51-5":"exactMatch"} group_key=phenol,4-methyl-,reactionproductswithdicyclopentadieneandisobutylene||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['ec_inventory']; cas_sources={'68610-51-5': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-f3fdfdcb813f91de: {'68610-51-5': 'exactMatch'}
b648fd8e… cas_match_labels — {"68610-51-5":"exactMatch"} group_key=phenol,4-methyl-,reactionproductswithdicyclopentadieneandisobutylene||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['ec_inventory']; cas_sources={'68610-51-5': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-f3fdfdcb813f91de: {'68610-51-5': 'exactMatch'}
e4fdce18… cas_match_labels — {"68610-51-5":"exactMatch"} group_key=phenol,4-methyl-,reactionproductswithdicyclopentadieneandisobutylene||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['ec_inventory']; cas_sources={'68610-51-5': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-f3fdfdcb813f91de: {'68610-51-5': 'exactMatch'}

Flow Object JSON

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      "@value": "Phenol, 4-methyl-, Reaction Products With Dicyclopentadiene And Isobutylene",
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      "@lang": "en",
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        "prov:hadPrimarySource": [
          "EF 3.1"
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  "altLabel": [],
  "properties": {
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      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C17H24O",
        "C18H26O",
        "C20H26O",
        "C21H28O",
        "C3H3ClO",
        "C49H64O3"
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      "@value": [
        "BAGWIHONASZLCD-UHFFFAOYSA-N",
        "MIMYGYFFSSSJCX-UHFFFAOYSA-N",
        "UGLWHNQJGVVAKC-UHFFFAOYSA-N",
        "UQQYHXZNSYZMEN-UHFFFAOYSA-N",
        "WHFFZLLDPXGFIX-UHFFFAOYSA-N",
        "ZWHANXMMZRUTAY-UHFFFAOYSA-N"
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      "@value": [
        "C=C(C=O)Cl",
        "CC(=C)C.C1C=CC2C1C3CC2C=C3.C1=CC=C(C=C1)O",
        "CC1=CC(=C(C(=C1)C2CC3CC2C4C3CC(C4)C5=C(C(=CC(=C5)C)C(C)(C)C)O)O)C6CC7C8CC(C7C6)C(C8)C9=C(C(=CC(=C9)C)C(C)(C)C)O",
        "CC1=CC=C(C=C1)O.C1CC2C3CCC(C2C1)CC3",
        "CC1=CC=C(C=C1)O.C1CC2C3CCC(C3)C2C1",
        "CC1=CC=C(C=C1)O.CC(=C)C.C1C=CC2C1C3CC2C=C3"
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        "InChI=1S/C10H12.C6H6O.C4H8/c1-2-9-7-4-5-8(6-7)10(9)3-1;7-6-4-2-1-3-5-6;1-4(2)3/h1-2,4-5,7-10H,3,6H2;1-5,7H;1H2,2-3H3",
        "InChI=1S/C10H12.C7H8O.C4H8/c1-2-9-7-4-5-8(6-7)10(9)3-1;1-6-2-4-7(8)5-3-6;1-4(2)3/h1-2,4-5,7-10H,3,6H2;2-5,8H,1H3;1H2,2-3H3",
        "InChI=1S/C10H16.C7H8O/c1-2-9-7-4-5-8(6-7)10(9)3-1;1-6-2-4-7(8)5-3-6/h7-10H,1-6H2;2-5,8H,1H3",
        "InChI=1S/C11H18.C7H8O/c1-2-10-8-4-6-9(7-5-8)11(10)3-1;1-6-2-4-7(8)5-3-6/h8-11H,1-7H2;2-5,8H,1H3",
        "InChI=1S/C3H3ClO/c1-3(4)2-5/h2H,1H2",
        "InChI=1S/C49H64O3/c1-24-10-33(29-16-31-28-19-38(35(31)22-29)40(21-28)42-13-26(3)15-44(47(42)52)49(7,8)9)45(50)41(12-24)39-20-27-18-37(39)36-23-30(17-32(27)36)34-11-25(2)14-43(46(34)51)48(4,5)6/h10-15,27-32,35-40,50-52H,16-23H2,1-9H3"
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      "@value": [
        "2-[4-(3-tert-butyl-2-hydroxy-5-methyl-phenyl)-8-tricyclo[5.2.1.02,6]decanyl]-6-[8-(3-tert-butyl-2-hydroxy-5-methyl-phenyl)-4-tricyclo[5.2.1.02,6]decanyl]-4-methyl-phenol",
        "2-[4-(3-tert-butyl-2-hydroxy-5-methylphenyl)-8-tricyclo[5.2.1.02,6]decanyl]-6-[8-(3-tert-butyl-2-hydroxy-5-methylphenyl)-4-tricyclo[5.2.1.02,6]decanyl]-4-methylphenol",
        "2-[4-(3-tert-butyl-5-methyl-2-oxidanyl-phenyl)-8-tricyclo[5.2.1.02,6]decanyl]-6-[8-(3-tert-butyl-5-methyl-2-oxidanyl-phenyl)-4-tricyclo[5.2.1.02,6]decanyl]-4-methyl-phenol",
        "2-chloranylprop-2-enal",
        "2-chloro-2-propenal",
        "2-chloroacrolein",
        "2-chloroprop-2-enal",
        "2-methyl-1-propene;phenol;tricyclo[5.2.1.02,6]deca-3,8-diene",
        "2-methylprop-1-ene;p-cresol;tricyclo[5.2.1.02,6]deca-3,8-diene",
        "2-methylprop-1-ene;phenol;tricyclo[5.2.1.02,6]deca-3,8-diene",
        "4-methylphenol;2-methyl-1-propene;tricyclo[5.2.1.02,6]deca-3,8-diene",
        "4-methylphenol;2-methylprop-1-ene;tricyclo[5.2.1.02,6]deca-3,8-diene",
        "4-methylphenol;tricyclo[5.2.1.02,6]decane",
        "4-methylphenol;tricyclo[5.2.2.02,6]undecane",
        "isobutylene;p-cresol;tricyclo[5.2.1.02,6]deca-3,8-diene",
        "isobutylene;phenol;tricyclo[5.2.1.02,6]deca-3,8-diene",
        "p-cresol;tricyclo[5.2.1.02,6]decane",
        "p-cresol;tricyclo[5.2.2.02,6]undecane"
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