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Propanoic Acid, 2-hydroxy-, Compound With 3-[2-(dimethylamino)ethyl]1-(2-ethylhexyl)(4-methyl-1,3-phenylene)bis[carbamate] ( 1:1)

UUID 967d6e73-9eff-439a-971d-d4a2aa264459
Flow Object IDfo-5c508d5d3dc6b7be
Source EF 3.1
Context Environmental → Water → Ocean
CAS Numbers 68227-46-3
EC Numbers 269-358-5
prefLabel
Language Value Provenance
en Propanoic Acid, 2-hydroxy-, Compound With 3-[2-(dimethylamino)ethyl]1-(2-ethylhexyl)(4-methyl-1,3-phenylene)bis[carbamate] ( 1:1)
altLabel ⓘ
Language Value Provenance
en Carbamic acid, [[3-[[2-(dimethylamino)ethoxy]carbonyl]amino]-4-methylphenyl]-, 2-ethylhexyl ester, mono(2-hydroxypropanoate)
en Propanoic acid, 2-hydroxy-, compd. with 2-ethylhexyl <em>N</em>-[3-[[[2-(dimethylamino)ethoxy]carbonyl]amino]-4-methylphenyl]carbamate (1:1)
en Propanoic acid, 2-hydroxy-, compd. with 2-ethylhexyl [3-[[[2-(dimethylamino)ethoxy]carbonyl]amino]-4-methylphenyl]carbamate (1:1)
en Propanoic acid, 2-hydroxy-, compd. with 2-ethylhexyl [[3-[[2-(dimethylamino)ethoxy]carbonyl]amino]-4-methylphenyl]carbamate (1:1)
References
Shared Properties
Predicate Value
InChIKey HYNJGJWCXRMUIG-UHFFFAOYSA-N, RAPJDIISPXBNSG-UHFFFAOYSA-N
InChI InChI=1S/C21H35N3O4.C3H6O3/c1-6-8-9-17(7-2)15-23-21(26)27-18-11-10-16(3)19(14-18)28-20(25)22-12-13-24(4)5;1-2(4)3(5)6/h10-11,14,17H,6-9,12-13,15H2,1-5H3,(H,22,25)(H,23,26);2,4H,1H3,(H,5,6), InChI=1S/C21H35N3O4.C3H6O3/c1-6-8-9-17(7-2)15-28-20(25)22-18-11-10-16(3)19(14-18)23-21(26)27-13-12-24(4)5;1-2(4)3(5)6/h10-11,14,17H,6-9,12-13,15H2,1-5H3,(H,22,25)(H,23,26);2,4H,1H3,(H,5,6)
IUPAC name 2-[[5-(2-ethylhexylcarbamoyloxy)-2-methyl-phenoxy]carbonylamino]ethyl-dimethyl-ammonium;2-hydroxypropanoate, 2-[[5-(2-ethylhexylcarbamoyloxy)-2-methyl-phenoxy]carbonylamino]ethyl-dimethyl-ammonium;lactate, 2-[[5-(2-ethylhexylcarbamoyloxy)-2-methyl-phenoxy]carbonylamino]ethyl-dimethyl-azanium;2-oxidanylpropanoate, 2-[[5-(2-ethylhexylcarbamoyloxy)-2-methylphenoxy]carbonylamino]ethyl-dimethylazanium;2-hydroxypropanoate, 2-[[[5-[(2-ethylhexylamino)-oxomethoxy]-2-methylphenoxy]-oxomethyl]amino]ethyl-dimethylammonium;2-hydroxypropanoate, 2-ethylhexyl N-[3-[2-(dimethylamino)ethoxycarbonylamino]-4-methyl-phenyl]carbamate;2-hydroxypropanoic acid, 2-ethylhexyl N-[3-[2-(dimethylamino)ethoxycarbonylamino]-4-methyl-phenyl]carbamate;2-oxidanylpropanoic acid, 2-ethylhexyl N-[3-[2-(dimethylamino)ethoxycarbonylamino]-4-methylphenyl]carbamate;2-hydroxypropanoic acid, N-[3-[2-(dimethylamino)ethoxycarbonylamino]-4-methyl-phenyl]carbamic acid 2-ethylhexyl ester;lactic acid, N-[3-[[2-(dimethylamino)ethoxy-oxomethyl]amino]-4-methylphenyl]carbamic acid 2-ethylhexyl ester;2-hydroxypropanoic acid
Molecular formula C24H41N3O7
SMILES CCCCC(CC)CNC(=O)OC1=CC(=C(C=C1)C)OC(=O)NCC[NH+](C)C.CC(C(=O)[O-])O, CCCCC(CC)COC(=O)NC1=CC(=C(C=C1)C)NC(=O)OCCN(C)C.CC(C(=O)O)O

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 967d6e73-9eff-439a-971d-d4a2aa264459 propanoic acid, 2-hydroxy-, compound with 3-[2-(dimethylamino)ethyl]1-(2-ethylhexyl)(4-methyl-1,3-phenylene)bis[carbamate] ( 1:1)

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 propanoic acid, 2-hydroxy-, compound with 3-[2-(dimethylamino)ethyl]1-(2-ethylhexyl)(4-methyl-1,3-phenylene)bis[carbamate] ( 1:1) 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 1 — consensus_match group_key=propanoicacid,2-hydroxy-,compoundwith3-[2-(dimethylamino)ethyl]1-(2-ethylhexyl)(4-methyl-1,3-phenylene)bis[carbamate](1:1)||dimension=Environmental > media=Water > water_body=Unknown; cas=68227-46-3; added Common Chemistry CAS names as altLabel: Carbamic acid, [[3-[[2-(dimethylamino)ethoxy]carbonyl]amino]-4-methylphenyl]-, 2-ethylhexyl ester, mono(2-hydroxypropanoate), Propanoic acid, 2-hydroxy-, compd. with 2-ethylhexyl <em>N</em>-[3-[[[2-(dimethylamino)ethoxy]carbonyl]amino]-4-methylphenyl]carbamate (1:1), Propanoic acid, 2-hydroxy-, compd. with 2-ethylhexyl [3-[[[2-(dimethylamino)ethoxy]carbonyl]amino]-4-methylphenyl]carbamate (1:1), Propanoic acid, 2-hydroxy-, compd. with 2-ethylhexyl [[3-[[2-(dimethylamino)ethoxy]carbonyl]amino]-4-methylphenyl]carbamate (1:1); object_uuid=fo-5c508d5d3dc6b7be
cas_match_labels 1 — consensus_match group_key=propanoicacid,2-hydroxy-,compoundwith3-[2-(dimethylamino)ethyl]1-(2-ethylhexyl)(4-methyl-1,3-phenylene)bis[carbamate](1:1)||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory']; cas_sources={'68227-46-3': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-5c508d5d3dc6b7be: {'68227-46-3': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaWater
water_bodyOcean

Consensus Changes

Field Old Value New Value Comment
altLabel None [{'@value': 'Carbamic acid, [[3-[[2-(dimethylamino)ethoxy]carbonyl]amino]-4-methylphenyl]-, 2-ethylhexyl ester, mono(2-hydroxypropanoate)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:68227-46-3', 'https://commonchemistry.cas.org/detail?cas_rn=68227-46-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Propanoic acid, 2-hydroxy-, compd. with 2-ethylhexyl <em>N</em>-[3-[[[2-(dimethylamino)ethoxy]carbonyl]amino]-4-methylphenyl]carbamate (1:1)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:68227-46-3', 'https://commonchemistry.cas.org/detail?cas_rn=68227-46-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Propanoic acid, 2-hydroxy-, compd. with 2-ethylhexyl [3-[[[2-(dimethylamino)ethoxy]carbonyl]amino]-4-methylphenyl]carbamate (1:1)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:68227-46-3', 'https://commonchemistry.cas.org/detail?cas_rn=68227-46-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Propanoic acid, 2-hydroxy-, compd. with 2-ethylhexyl [[3-[[2-(dimethylamino)ethoxy]carbonyl]amino]-4-methylphenyl]carbamate (1:1)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:68227-46-3', 'https://commonchemistry.cas.org/detail?cas_rn=68227-46-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=propanoicacid,2-hydroxy-,compoundwith3-[2-(dimethylamino)ethyl]1-(2-ethylhexyl)(4-methyl-1,3-phenylene)bis[carbamate](1:1)||dimension=Environmental > media=Water > water_body=Unknown; cas=68227-46-3; added Common Chemistry CAS names as altLabel: Carbamic acid, [[3-[[2-(dimethylamino)ethoxy]carbonyl]amino]-4-methylphenyl]-, 2-ethylhexyl ester, mono(2-hydroxypropanoate), Propanoic acid, 2-hydroxy-, compd. with 2-ethylhexyl <em>N</em>-[3-[[[2-(dimethylamino)ethoxy]carbonyl]amino]-4-methylphenyl]carbamate (1:1), Propanoic acid, 2-hydroxy-, compd. with 2-ethylhexyl [3-[[[2-(dimethylamino)ethoxy]carbonyl]amino]-4-methylphenyl]carbamate (1:1), Propanoic acid, 2-hydroxy-, compd. with 2-ethylhexyl [[3-[[2-(dimethylamino)ethoxy]carbonyl]amino]-4-methylphenyl]carbamate (1:1); object_uuid=fo-5c508d5d3dc6b7be
cas_match_labels None {'68227-46-3': 'exactMatch'} group_key=propanoicacid,2-hydroxy-,compoundwith3-[2-(dimethylamino)ethyl]1-(2-ethylhexyl)(4-methyl-1,3-phenylene)bis[carbamate](1:1)||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory']; cas_sources={'68227-46-3': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-5c508d5d3dc6b7be: {'68227-46-3': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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        "2-[[5-(2-ethylhexylcarbamoyloxy)-2-methyl-phenoxy]carbonylamino]ethyl-dimethyl-ammonium;lactate",
        "2-[[5-(2-ethylhexylcarbamoyloxy)-2-methyl-phenoxy]carbonylamino]ethyl-dimethyl-azanium;2-oxidanylpropanoate",
        "2-[[5-(2-ethylhexylcarbamoyloxy)-2-methylphenoxy]carbonylamino]ethyl-dimethylazanium;2-hydroxypropanoate",
        "2-[[[5-[(2-ethylhexylamino)-oxomethoxy]-2-methylphenoxy]-oxomethyl]amino]ethyl-dimethylammonium;2-hydroxypropanoate",
        "2-ethylhexyl N-[3-[2-(dimethylamino)ethoxycarbonylamino]-4-methyl-phenyl]carbamate;2-hydroxypropanoic acid",
        "2-ethylhexyl N-[3-[2-(dimethylamino)ethoxycarbonylamino]-4-methyl-phenyl]carbamate;2-oxidanylpropanoic acid",
        "2-ethylhexyl N-[3-[2-(dimethylamino)ethoxycarbonylamino]-4-methylphenyl]carbamate;2-hydroxypropanoic acid",
        "N-[3-[2-(dimethylamino)ethoxycarbonylamino]-4-methyl-phenyl]carbamic acid 2-ethylhexyl ester;lactic acid",
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      "@type": "xkos:ConceptAssociation",
      "xkos:sourceConcept": {
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        "skos:prefLabel": "propanoic acid, 2-hydroxy-, compound with 3-[2-(dimethylamino)ethyl]1-(2-ethylhexyl)(4-methyl-1,3-phenylene)bis[carbamate] ( 1:1)",
        "context": "Emissions/Emissions to water/Emissions to sea water",
        "qudt:unit": "kg"
      },
      "xkos:targetConcept": {
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      },
      "xkos:mapType": {
        "@id": "http://www.w3.org/2004/02/skos/core#exactMatch"
      },
      "provenance": {
        "prov:wasGeneratedBy": "build_concept_associations",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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}