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Diethylhexyl Syringylidenemalonate

UUID e2952579-8028-4d56-8a92-de925f08023e
Flow Object IDfo-f8978df2a2c049b6
Source EF 3.1
Context Environmental → Water → Surface water
CAS Numbers 444811-29-4
EC Numbers 468-890-7
prefLabel
Language Value Provenance
en Diethylhexyl Syringylidenemalonate
altLabel ⓘ
Language Value Provenance
en Oxynex ST
en Propanedioic acid, 2-[(4-hydroxy-3,5-dimethoxyphenyl)methylene]-, 1,3-bis(2-ethylhexyl) ester
en Propanedioic acid, [(4-hydroxy-3,5-dimethoxyphenyl)methylene]-, bis(2-ethylhexyl) ester
References
Shared Properties
Predicate Value
InChIKey IQYBTVQCQXWGDN-FOWTUZBSSA-M, IQYBTVQCQXWGDN-FOWTUZBSSA-N, IQYBTVQCQXWGDN-UHFFFAOYSA-M, NSBAXYINVVKQQI-UHFFFAOYSA-N
InChI InChI=1S/C22H32O7/c1-6-9-10-11-22(7-2,8-3)29-21(26)16(20(24)25)12-15-13-17(27-4)19(23)18(14-15)28-5/h12-14,23H,6-11H2,1-5H3,(H,24,25)/b16-12+, InChI=1S/C22H32O7/c1-6-9-10-11-22(7-2,8-3)29-21(26)16(20(24)25)12-15-13-17(27-4)19(23)18(14-15)28-5/h12-14,23H,6-11H2,1-5H3,(H,24,25)/p-1, InChI=1S/C22H32O7/c1-6-9-10-11-22(7-2,8-3)29-21(26)16(20(24)25)12-15-13-17(27-4)19(23)18(14-15)28-5/h12-14,23H,6-11H2,1-5H3,(H,24,25)/p-1/b16-12+, InChI=1S/C28H44O7/c1-7-11-13-20(9-3)18-34-27(30)23(28(31)35-19-21(10-4)14-12-8-2)15-22-16-24(32-5)26(29)25(17-22)33-6/h15-17,20-21,29H,7-14,18-19H2,1-6H3
IUPAC name (E)-2-(1,1-diethylhexoxycarbonyl)-3-(4-hydroxy-3,5-dimethoxy-phenyl)acrylic acid, (E)-2-(1,1-diethylhexoxycarbonyl)-3-(4-hydroxy-3,5-dimethoxy-phenyl)prop-2-enoic acid, (E)-2-(3-ethyloctan-3-yloxycarbonyl)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoic acid, (E)-2-[3-ethyloctan-3-yloxy(oxo)methyl]-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-propenoic acid, (E)-3-(3,5-dimethoxy-4-oxidanyl-phenyl)-2-(3-ethyloctan-3-yloxycarbonyl)prop-2-enoic acid, 2-(4-hydroxy-3,5-dimethoxy-benzylidene)malonic acid bis(2-ethylhexyl) ester, 2-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]propanedioic acid bis(2-ethylhexyl) ester, 4-[(E)-2-carboxy-3-(1,1-diethylhexoxy)-3-keto-prop-1-enyl]-2,6-dimethoxy-phenolate, 4-[(E)-2-carboxy-3-(1,1-diethylhexoxy)-3-oxo-prop-1-enyl]-2,6-dimethoxy-phenolate, 4-[(E)-2-carboxy-3-(3-ethyloctan-3-yloxy)-3-oxidanylidene-prop-1-enyl]-2,6-dimethoxy-phenolate, 4-[(E)-2-carboxy-3-(3-ethyloctan-3-yloxy)-3-oxoprop-1-enyl]-2,6-dimethoxyphenolate, 4-[2-carboxy-3-(1,1-diethylhexoxy)-3-keto-prop-1-enyl]-2,6-dimethoxy-phenolate, 4-[2-carboxy-3-(1,1-diethylhexoxy)-3-oxo-prop-1-enyl]-2,6-dimethoxy-phenolate, 4-[2-carboxy-3-(3-ethyloctan-3-yloxy)-3-oxidanylidene-prop-1-enyl]-2,6-dimethoxy-phenolate, 4-[2-carboxy-3-(3-ethyloctan-3-yloxy)-3-oxoprop-1-enyl]-2,6-dimethoxyphenolate, bis(2-ethylhexyl) 2-[(3,5-dimethoxy-4-oxidanyl-phenyl)methylidene]propanedioate, bis(2-ethylhexyl) 2-[(4-hydroxy-3,5-dimethoxy-phenyl)methylene]propanedioate, bis(2-ethylhexyl) 2-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]propanedioate
Molecular formula C22H31O7-, C22H32O7, C28H44O7
SMILES CCCCC(CC)COC(=O)C(=CC1=CC(=C(C(=C1)OC)O)OC)C(=O)OCC(CC)CCCC, CCCCCC(CC)(CC)OC(=O)/C(=C/C1=CC(=C(C(=C1)OC)O)OC)/C(=O)O, CCCCCC(CC)(CC)OC(=O)/C(=C/C1=CC(=C(C(=C1)OC)[O-])OC)/C(=O)O, CCCCCC(CC)(CC)OC(=O)C(=CC1=CC(=C(C(=C1)OC)O)OC)C(=O)O, CCCCCC(CC)(CC)OC(=O)C(=CC1=CC(=C(C(=C1)OC)[O-])OC)C(=O)O

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 e2952579-8028-4d56-8a92-de925f08023e diethylhexyl syringylidenemalonate

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 diethylhexyl syringylidenemalonate 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
altLabel 1 — consensus_match group_key=diethylhexylsyringylidenemalonate||dimension=Environmental > media=Ground > geography=Unknown; cas=444811-29-4; added Common Chemistry CAS names as altLabel: Oxynex ST, Propanedioic acid, 2-[(4-hydroxy-3,5-dimethoxyphenyl)methylene]-, 1,3-bis(2-ethylhexyl) ester, Propanedioic acid, [(4-hydroxy-3,5-dimethoxyphenyl)methylene]-, bis(2-ethylhexyl) ester; object_uuid=fo-f8978df2a2c049b6
cas_match_labels 1 — consensus_match group_key=diethylhexylsyringylidenemalonate||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['pubchem']; cas_sources={'444811-29-4': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-f8978df2a2c049b6: {'444811-29-4': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaWater
water_bodySurface water

Consensus Changes

Field Old Value New Value Comment
altLabel None [{'@value': 'Oxynex ST', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:444811-29-4', 'https://commonchemistry.cas.org/detail?cas_rn=444811-29-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Propanedioic acid, 2-[(4-hydroxy-3,5-dimethoxyphenyl)methylene]-, 1,3-bis(2-ethylhexyl) ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:444811-29-4', 'https://commonchemistry.cas.org/detail?cas_rn=444811-29-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Propanedioic acid, [(4-hydroxy-3,5-dimethoxyphenyl)methylene]-, bis(2-ethylhexyl) ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:444811-29-4', 'https://commonchemistry.cas.org/detail?cas_rn=444811-29-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=diethylhexylsyringylidenemalonate||dimension=Environmental > media=Ground > geography=Unknown; cas=444811-29-4; added Common Chemistry CAS names as altLabel: Oxynex ST, Propanedioic acid, 2-[(4-hydroxy-3,5-dimethoxyphenyl)methylene]-, 1,3-bis(2-ethylhexyl) ester, Propanedioic acid, [(4-hydroxy-3,5-dimethoxyphenyl)methylene]-, bis(2-ethylhexyl) ester; object_uuid=fo-f8978df2a2c049b6
cas_match_labels None {'444811-29-4': 'exactMatch'} group_key=diethylhexylsyringylidenemalonate||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['pubchem']; cas_sources={'444811-29-4': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-f8978df2a2c049b6: {'444811-29-4': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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