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3,4,4-triethyl-2,5,5-trimethylcyclohex-2-en-1-one

UUID c7a6f183-6b31-4b42-96f6-c7c7ae058160
Flow Object IDfo-131de1db4749e694
Source EF 3.1
Context Environmental → Water → Ocean
CAS Numbers 70714-66-8
EC Numbers 274-798-6
prefLabel ⓘ
Language Value Provenance
en 3,4,4-triethyl-2,5,5-trimethylcyclohex-2-en-1-one
altLabel ⓘ
Language Value Provenance
en Phosphonic acid, <em>P</em>,<em>P</em>′,<em>P</em>′′,<em>P</em>′′′-[[(phosphonomethyl)imino]bis[2,1-ethanediylnitrilobis(methylene)]]tetrakis-, ammonium salt (1:?)
en Phosphonic acid, [[(phosphonomethyl)imino]bis[2,1-ethanediylnitrilobis(methylene)]]tetrakis-, ammonium salt
References
Shared Properties
Predicate Value
InChIKey BUWKKTZEUORNQO-UHFFFAOYSA-N, WVGVLUWJNYWIEC-UHFFFAOYSA-N
InChI InChI=1S/C15H26O/c1-7-12-11(4)13(16)10-14(5,6)15(12,8-2)9-3/h7-10H2,1-6H3, InChI=1S/C9H28N3O15P5.H3N/c13-28(14,15)5-10(1-3-11(6-29(16,17)18)7-30(19,20)21)2-4-12(8-31(22,23)24)9-32(25,26)27;/h1-9H2,(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)(H2,25,26,27);1H3
IUPAC name 3,4,4-triethyl-2,5,5-trimethyl-1-cyclohex-2-enone, 3,4,4-triethyl-2,5,5-trimethyl-cyclohex-2-en-1-one, 3,4,4-triethyl-2,5,5-trimethylcyclohex-2-en-1-one, ammonia;[bis[2-[bis(phosphonomethyl)amino]ethyl]amino]methylphosphonic acid, ammonium [2-[2-[bis(phosphonomethyl)amino]ethyl-(phosphonomethyl)amino]ethyl-(phosphonomethyl)amino]methyl-hydroxy-phosphinate, ammonium [2-[2-[bis(phosphonomethyl)amino]ethyl-(phosphonomethyl)amino]ethyl-(phosphonomethyl)amino]methyl-hydroxyphosphinate, azane;[bis[2-[bis(phosphonomethyl)amino]ethyl]amino]methylphosphonic acid, azanium [2-[2-[bis(phosphonomethyl)amino]ethyl-(phosphonomethyl)amino]ethyl-(phosphonomethyl)amino]methyl-hydroxyphosphinate, azanium [2-[2-[bis(phosphonomethyl)amino]ethyl-(phosphonomethyl)amino]ethyl-(phosphonomethyl)amino]methyl-oxidanyl-phosphinate
Molecular formula C15H26O, C9H31N4O15P5
SMILES C(CN(CP(=O)(O)O)CP(=O)(O)O)N(CCN(CP(=O)(O)O)CP(=O)(O)O)CP(=O)(O)O.N, C(CN(CP(=O)(O)O)CP(=O)(O)O)N(CCN(CP(=O)(O)O)CP(=O)(O)[O-])CP(=O)(O)O.[NH4+], CCC1=C(C(=O)CC(C1(CC)CC)(C)C)C

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 c7a6f183-6b31-4b42-96f6-c7c7ae058160 ammonium hydrogen [10,10-dihydroxy-10-oxido-2,5,8-tris(phosphonomethyl)-2,5,8-triaza-10-phosphadec-1-yl]phosphonate

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 ammonium hydrogen [10,10-dihydroxy-10-oxido-2,5,8-tris(phosphonomethyl)-2,5,8-triaza-10-phosphadec-1-yl]phosphonate Emissions/Emissions to water/Emissions to sea water kg exactMatch —

Consolidated Field Provenance

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

Field Change Count Latest Time Transformers Latest Comment
altLabel 2 — consensus_match group_key=ammoniumhydrogen[10,10-dihydroxy-10-oxido-2,5,8-tris(phosphonomethyl)-2,5,8-triaza-10-phosphadec-1-yl]phosphonate||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); cas=70714-66-8; added Common Chemistry CAS names as altLabel: Phosphonic acid, <em>P</em>,<em>P</em>′,<em>P</em>′′,<em>P</em>′′′-[[(phosphonomethyl)imino]bis[2,1-ethanediylnitrilobis(methylene)]]tetrakis-, ammonium salt (1:?), Phosphonic acid, [[(phosphonomethyl)imino]bis[2,1-ethanediylnitrilobis(methylene)]]tetrakis-, ammonium salt; object_uuid=fo-131de1db4749e694
cas_match_labels 1 — consensus_match group_key=ammoniumhydrogen[10,10-dihydroxy-10-oxido-2,5,8-tris(phosphonomethyl)-2,5,8-triaza-10-phosphadec-1-yl]phosphonate||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['ec_inventory']; cas_sources={'70714-66-8': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-131de1db4749e694: {'70714-66-8': 'exactMatch'}
prefLabel 1 — consensus_match group_key=ammoniumhydrogen[10,10-dihydroxy-10-oxido-2,5,8-tris(phosphonomethyl)-2,5,8-triaza-10-phosphadec-1-yl]phosphonate||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); cas=70714-66-8; set prefLabel for unique CAS in context using entropy rule; selected=pubchem; current_entropy=4.3226; pubchem_entropy=3.9354; current_score=5.2526; pubchem_score=4.3154; score_improvement=0.9371; threshold=0.400; min_margin=0.400; object_uuid=fo-131de1db4749e694

Context Attributes

AttributeValue
dimensionEnvironmental
mediaWater
water_bodyOcean

Consensus Changes

Field Old Value New Value Comment
prefLabel [{'@value': 'Ammonium Hydrogen [10,10-dihydroxy-10-oxido-2,5,8-tris(phosphonomethyl)-2,5,8-triaza-10-phosphadec-1-yl]phosphonate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'bootstrap_labels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['EF 3.1'], 'prov:wasDerivedFrom': 'legacy name field'}}] [{'@value': '3,4,4-triethyl-2,5,5-trimethylcyclohex-2-en-1-one', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:70714-66-8', 'name:3,4,4-triethyl-2,5,5-trimethylcyclohex-2-en-1-one', 'https://pubchem.ncbi.nlm.nih.gov/compound/111383'], 'prov:wasDerivedFrom': 'pubchem preferred label selection'}}] group_key=ammoniumhydrogen[10,10-dihydroxy-10-oxido-2,5,8-tris(phosphonomethyl)-2,5,8-triaza-10-phosphadec-1-yl]phosphonate||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); cas=70714-66-8; set prefLabel for unique CAS in context using entropy rule; selected=pubchem; current_entropy=4.3226; pubchem_entropy=3.9354; current_score=5.2526; pubchem_score=4.3154; score_improvement=0.9371; threshold=0.400; min_margin=0.400; object_uuid=fo-131de1db4749e694
altLabel None [{'@value': 'Ammonium Hydrogen [10,10-dihydroxy-10-oxido-2,5,8-tris(phosphonomethyl)-2,5,8-triaza-10-phosphadec-1-yl]phosphonate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['EF 3.1'], 'prov:wasDerivedFrom': 'original EF name retained as altLabel'}}] group_key=ammoniumhydrogen[10,10-dihydroxy-10-oxido-2,5,8-tris(phosphonomethyl)-2,5,8-triaza-10-phosphadec-1-yl]phosphonate||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); cas=70714-66-8; added current EF name as altLabel when prefLabel differs; object_uuid=fo-131de1db4749e694
altLabel [{'@value': 'Ammonium Hydrogen [10,10-dihydroxy-10-oxido-2,5,8-tris(phosphonomethyl)-2,5,8-triaza-10-phosphadec-1-yl]phosphonate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['EF 3.1'], 'prov:wasDerivedFrom': 'original EF name retained as altLabel'}}] [{'@value': 'Phosphonic acid, <em>P</em>,<em>P</em>′,<em>P</em>′′,<em>P</em>′′′-[[(phosphonomethyl)imino]bis[2,1-ethanediylnitrilobis(methylene)]]tetrakis-, ammonium salt (1:?)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:70714-66-8', 'https://commonchemistry.cas.org/detail?cas_rn=70714-66-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Phosphonic acid, [[(phosphonomethyl)imino]bis[2,1-ethanediylnitrilobis(methylene)]]tetrakis-, ammonium salt', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:70714-66-8', 'https://commonchemistry.cas.org/detail?cas_rn=70714-66-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=ammoniumhydrogen[10,10-dihydroxy-10-oxido-2,5,8-tris(phosphonomethyl)-2,5,8-triaza-10-phosphadec-1-yl]phosphonate||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); cas=70714-66-8; added Common Chemistry CAS names as altLabel: Phosphonic acid, <em>P</em>,<em>P</em>′,<em>P</em>′′,<em>P</em>′′′-[[(phosphonomethyl)imino]bis[2,1-ethanediylnitrilobis(methylene)]]tetrakis-, ammonium salt (1:?), Phosphonic acid, [[(phosphonomethyl)imino]bis[2,1-ethanediylnitrilobis(methylene)]]tetrakis-, ammonium salt; object_uuid=fo-131de1db4749e694
cas_match_labels None {'70714-66-8': 'exactMatch'} group_key=ammoniumhydrogen[10,10-dihydroxy-10-oxido-2,5,8-tris(phosphonomethyl)-2,5,8-triaza-10-phosphadec-1-yl]phosphonate||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['ec_inventory']; cas_sources={'70714-66-8': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-131de1db4749e694: {'70714-66-8': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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      "methodology": "Environmental Footprint",
      "impact_category": "Non-cancer human health effects",
      "impact_indicator": "Comparative Toxic Unit for human (CTUh)",
      "characterization_factor": 1.4888e-10
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        "3,4,4-triethyl-2,5,5-trimethylcyclohex-2-en-1-one",
        "ammonia;[bis[2-[bis(phosphonomethyl)amino]ethyl]amino]methylphosphonic acid",
        "ammonium [2-[2-[bis(phosphonomethyl)amino]ethyl-(phosphonomethyl)amino]ethyl-(phosphonomethyl)amino]methyl-hydroxy-phosphinate",
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