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

UUID 1f1d1410-3572-41bf-a193-c15861b91f6c
Flow Object IDfo-f3fdfdcb813f91de
Source EF 3.1
Context Environmental → Water → Surface water
CAS Numbers 68610-51-5
EC Numbers 271-867-2
prefLabel
Language Value Provenance
en Phenol, 4-methyl-, Reaction Products With Dicyclopentadiene And Isobutylene
References
Shared 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

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 1f1d1410-3572-41bf-a193-c15861b91f6c phenol, 4-methyl-, reaction products with dicyclopentadiene and isobutylene

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 phenol, 4-methyl-, reaction products with dicyclopentadiene and isobutylene Emissions/Emissions to water/Emissions to fresh water kg exactMatch —

Consolidated Field Provenance

0 total PROV activity record(s) for this flow.

Field Change Count Latest Time Transformers Latest Comment
cas_match_labels 1 — consensus_match 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'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaWater
water_bodySurface water

Consensus Changes

Field Old Value New Value Comment
cas_match_labels None {'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'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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      "impact_indicator": "Comparative Toxic Unit for human (CTUh)",
      "characterization_factor": 6.1518e-7
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        "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",
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        "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",
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        "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",
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