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Thiobis[tetrapropylenephenol]

UUID 5ea18cdc-b11c-4dd3-95af-90fb2ef81795
Flow Object IDfo-1aba24bef50b529f
Source EF 3.1
Context Environmental → Ground → Agricultural
CAS Numbers 68815-67-8
EC Numbers 272-388-1
prefLabel
Language Value Provenance
en Thiobis[tetrapropylenephenol]
altLabel ⓘ
Language Value Provenance
en Phenol, thiobis[tetrapropylene-
References
Shared Properties
Predicate Value
InChIKey CTAPWNCYJTVKDG-UHFFFAOYSA-N, MCSUKBYDOHURLJ-UHFFFAOYSA-J, TYHISQCJHIXQGU-UHFFFAOYSA-N
InChI InChI=1S/2C14H21ClN3.4ClH.Zn/c2*1-3-5-9-18(10-6-4-2)14-8-7-12(17-16)11-13(14)15;;;;;/h2*7-8,11H,3-6,9-10H2,1-2H3;4*1H;/q2*+1;;;;;+2/p-4, InChI=1S/C36H42O2S/c1-15-9-23-25(15)21-7-17(3)27(21)31-29(23)35(37,33(31)11-19(33)5)13-39-14-36(38)30-24-10-16(2)26(24)22-8-18(4)28(22)32(30)34(36)12-20(34)6/h15-20,37-38H,7-14H2,1-6H3, InChI=1S/C36H58O2S/c1-3-5-7-9-11-13-15-17-19-21-23-31-29-33(37)25-27-35(31)39-36-28-26-34(38)30-32(36)24-22-20-18-16-14-12-10-8-6-4-2/h25-30,37-38H,3-24H2,1-2H3
IUPAC name 2,7',11'-trimethyl-3'-[(2,7',11'-trimethyl-3'-oxidanyl-spiro[cyclopropane-1,4'-tetracyclo[8.2.0.02,5.06,9]dodeca-1,5,9-triene]-3'-yl)methylsulfanylmethyl]spiro[cyclopropane-1,4'-tetracyclo[8.2.0.02,5.06,9]dodeca-1,5,9-triene]-3'-ol, 3'-[(3'-hydroxy-2,7',11'-trimethyl-spiro[cyclopropane-1,4'-tetracyclo[8.2.0.02,5.06,9]dodeca-1,5,9-triene]-3'-yl)methylsulfanylmethyl]-2,7',11'-trimethyl-spiro[cyclopropane-1,4'-tetracyclo[8.2.0.02,5.06,9]dodeca-1,5,9-triene]-3'-ol, 3'-[(3'-hydroxy-2,7',11'-trimethylspiro[cyclopropane-1,4'-tetracyclo[8.2.0.02,5.06,9]dodeca-1,5,9-triene]-3'-yl)methylsulfanylmethyl]-2,7',11'-trimethylspiro[cyclopropane-1,4'-tetracyclo[8.2.0.02,5.06,9]dodeca-1,5,9-triene]-3'-ol, 3'-[[(3'-hydroxy-2,7',11'-trimethyl-3'-spiro[cyclopropane-1,4'-tetracyclo[8.2.0.02,5.06,9]dodeca-1,5,9-triene]yl)methylthio]methyl]-2,7',11'-trimethyl-3'-spiro[cyclopropane-1,4'-tetracyclo[8.2.0.02,5.06,9]dodeca-1,5,9-triene]ol, 3'-[[(3'-hydroxy-2,7',11'-trimethyl-spiro[cyclopropane-1,4'-tetracyclo[8.2.0.02,5.06,9]dodeca-1,5,9-triene]-3'-yl)methylthio]methyl]-2,7',11'-trimethyl-spiro[cyclopropane-1,4'-tetracyclo[8.2.0.02,5.06,9]dodeca-1,5,9-triene]-3'-ol, 3-dodecyl-4-(2-dodecyl-4-hydroxy-phenyl)sulfanyl-phenol, 3-dodecyl-4-(2-dodecyl-4-hydroxyphenyl)sulfanylphenol, 3-dodecyl-4-(2-dodecyl-4-oxidanyl-phenyl)sulfanyl-phenol, 3-dodecyl-4-[(2-dodecyl-4-hydroxyphenyl)thio]phenol, 4-[(4-hydroxy-2-lauryl-phenyl)thio]-3-lauryl-phenol, zinc;bis(3-chloranyl-4-(dibutylamino)benzenediazonium);tetrachloride, zinc;bis(3-chloro-4-(dibutylamino)benzenediazonium);tetrachloride
Molecular formula C28H42Cl6N6Zn, C36H42O2S, C36H58O2S
SMILES CC1CC2=C3C(CC3=C4C(=C12)C5(C4(CSCC6(C7=C8CC(C8=C9CC(C9=C7C61CC1C)C)C)O)O)CC5C)C, CCCCCCCCCCCCC1=C(C=CC(=C1)O)SC2=C(C=C(C=C2)O)CCCCCCCCCCCC, CCCCN(CCCC)C1=C(C=C(C=C1)[N+]#N)Cl.CCCCN(CCCC)C1=C(C=C(C=C1)[N+]#N)Cl.[Cl-].[Cl-].[Cl-].[Cl-].[Zn+2]

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 5ea18cdc-b11c-4dd3-95af-90fb2ef81795 thiobis[tetrapropylenephenol]

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 thiobis[tetrapropylenephenol] Emissions/Emissions to soil/Emissions to agricultural soil kg exactMatch —

Consolidated Field Provenance

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

Field Change Count Latest Time Transformers Latest Comment
altLabel 1 — consensus_match group_key=thiobis[tetrapropylenephenol]||dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=68815-67-8; added Common Chemistry CAS names as altLabel: Phenol, thiobis[tetrapropylene-; object_uuid=fo-1aba24bef50b529f
cas_match_labels 1 — consensus_match group_key=thiobis[tetrapropylenephenol]||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['ec_inventory']; cas_sources={'68815-67-8': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-1aba24bef50b529f: {'68815-67-8': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaGround
geographyAgricultural

Consensus Changes

Field Old Value New Value Comment
altLabel None [{'@value': 'Phenol, thiobis[tetrapropylene-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:68815-67-8', 'https://commonchemistry.cas.org/detail?cas_rn=68815-67-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=thiobis[tetrapropylenephenol]||dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=68815-67-8; added Common Chemistry CAS names as altLabel: Phenol, thiobis[tetrapropylene-; object_uuid=fo-1aba24bef50b529f
cas_match_labels None {'68815-67-8': 'exactMatch'} group_key=thiobis[tetrapropylenephenol]||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['ec_inventory']; cas_sources={'68815-67-8': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-1aba24bef50b529f: {'68815-67-8': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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        "3'-[[(3'-hydroxy-2,7',11'-trimethyl-3'-spiro[cyclopropane-1,4'-tetracyclo[8.2.0.02,5.06,9]dodeca-1,5,9-triene]yl)methylthio]methyl]-2,7',11'-trimethyl-3'-spiro[cyclopropane-1,4'-tetracyclo[8.2.0.02,5.06,9]dodeca-1,5,9-triene]ol",
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