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2-benzofuran-1,3-dione, Esterification Products With Undecanol, Branched And Linear

UUID 337bdca1-476d-4026-9637-05bdf9c24699
Flow Object IDfo-35e93f574741b69a
Source EF 3.1
Context Environmental → Water → Surface water
CAS Numbers 85507-79-5
EC Numbers 287-401-6
prefLabel
Language Value Provenance
en 2-benzofuran-1,3-dione, Esterification Products With Undecanol, Branched And Linear
altLabel ⓘ
Language Value Provenance
en 1,2-Benzenedicarboxylic acid, 1,2-diundecyl ester, branched and linear
en 1,2-Benzenedicarboxylic acid, diundecyl ester, branched and linear
References
Shared Properties
Predicate Value
InChIKey JOHNPRHIYSPRSW-SVBPBHIXSA-N, XLYOFNOQVPJJNP-UHFFFAOYSA-N
InChI InChI=1S/C31H52O4/c1-5-9-10-11-12-13-14-15-16-19-24-34-30(32)28-22-17-18-23-29(28)31(33)35-25-27(21-7-3)26(8-4)20-6-2/h17-18,22-23,26-27H,5-16,19-21,24-25H2,1-4H3/t26-,27-/m0/s1, InChI=1S/H2O/h1H2
IUPAC name 1-O-dodecyl 2-O-[(2R,3S)-3-ethyl-2-propylhexyl] benzene-1,2-dicarboxylate, O1-dodecyl O2-[(2R,3S)-3-ethyl-2-propyl-hexyl] benzene-1,2-dicarboxylate, benzene-1,2-dicarboxylic acid O1-dodecyl ester O2-[(2R,3S)-3-ethyl-2-propylhexyl] ester, benzene-1,2-dicarboxylic acid O2-[(2R,3S)-3-ethyl-2-propyl-hexyl] ester O1-lauryl ester, oxidane, water
Molecular formula C31H52O4, H2O
SMILES CCCCCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCC(CCC)C(CC)CCC, CCCCCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OC[C@H](CCC)[C@@H](CC)CCC, O

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 337bdca1-476d-4026-9637-05bdf9c24699 2-benzofuran-1,3-dione, esterification products with undecanol, branched and linear

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 2-benzofuran-1,3-dione, esterification products with undecanol, branched and linear 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=2-benzofuran-1,3-dione,esterificationproductswithundecanol,branchedandlinear||dimension=Environmental > media=Water > water_body=Ocean; cas=85507-79-5; added Common Chemistry CAS names as altLabel: 1,2-Benzenedicarboxylic acid, 1,2-diundecyl ester, branched and linear, 1,2-Benzenedicarboxylic acid, diundecyl ester, branched and linear; object_uuid=fo-35e93f574741b69a
cas_match_labels 1 — consensus_match group_key=2-benzofuran-1,3-dione,esterificationproductswithundecanol,branchedandlinear||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['ec_inventory']; cas_sources={'85507-79-5': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-35e93f574741b69a: {'85507-79-5': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaWater
water_bodySurface water

Consensus Changes

Field Old Value New Value Comment
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cas_match_labels None {'85507-79-5': 'exactMatch'} group_key=2-benzofuran-1,3-dione,esterificationproductswithundecanol,branchedandlinear||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['ec_inventory']; cas_sources={'85507-79-5': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-35e93f574741b69a: {'85507-79-5': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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