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Benzoic Acid, C9-11 , C10-rich, Branched Alkyl Esters

UUID 5d553907-1f89-4ab6-a248-cd0228684194
Flow Object IDfo-569e4adf1e5efd29
Source EF 3.1
Context Environmental → Water → Surface water
CAS Numbers 131298-44-7
EC Numbers 421-090-1
prefLabel
Language Value Provenance
en Benzoic Acid, C9-11 , C10-rich, Branched Alkyl Esters
altLabel ⓘ
Language Value Provenance
en Benzoic acid, C<sub>9-11</sub>-branched alkyl esters
References
Shared Properties
Predicate Value
InChIKey CUSUFTNOPPMGBK-UHFFFAOYSA-N, HNDYULRADYGBDU-UHFFFAOYSA-N, INYPVYFDXIKGBI-CQSZACIVSA-N, INYPVYFDXIKGBI-UHFFFAOYSA-N
InChI InChI=1S/C16H24O2/c1-4-14(11-10-13(2)3)12-18-16(17)15-8-6-5-7-9-15/h5-9,13-14H,4,10-12H2,1-3H3, InChI=1S/C16H24O2/c1-4-14(11-10-13(2)3)12-18-16(17)15-8-6-5-7-9-15/h5-9,13-14H,4,10-12H2,1-3H3/t14-/m1/s1, InChI=1S/C17H26O2/c1-15(2)11-7-4-3-5-10-14-19-17(18)16-12-8-6-9-13-16/h6,8-9,12-13,15H,3-5,7,10-11,14H2,1-2H3, InChI=1S/C17H26O2/c1-2-3-4-5-6-7-8-12-15-19-17(18)16-13-10-9-11-14-16/h9-11,13-14H,2-8,12,15H2,1H3
IUPAC name (2-ethyl-5-methyl-hexyl) benzoate, (2-ethyl-5-methylhexyl) benzoate, 8-methylnonyl benzoate, [(2R)-2-ethyl-5-methyl-hexyl] benzoate, [(2R)-2-ethyl-5-methylhexyl] benzoate, benzoic acid (2-ethyl-5-methyl-hexyl) ester, benzoic acid (2-ethyl-5-methylhexyl) ester, benzoic acid 8-methylnonyl ester, benzoic acid [(2R)-2-ethyl-5-methyl-hexyl] ester, benzoic acid [(2R)-2-ethyl-5-methylhexyl] ester, benzoic acid decyl ester, decyl benzoate
Molecular formula C16H24O2, C17H26O2
SMILES CC(C)CCCCCCCOC(=O)C1=CC=CC=C1, CCC(CCC(C)C)COC(=O)C1=CC=CC=C1, CCCCCCCCCCOC(=O)C1=CC=CC=C1, CC[C@H](CCC(C)C)COC(=O)C1=CC=CC=C1

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 5d553907-1f89-4ab6-a248-cd0228684194 benzoic acid, c9-11 , c10-rich, branched alkyl esters

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 benzoic acid, c9-11 , c10-rich, branched alkyl esters 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=benzoicacid,c9-11,c10-rich,branchedalkylesters||dimension=Environmental > media=Air > indoor=Unknown; cas=131298-44-7; added Common Chemistry CAS names as altLabel: Benzoic acid, C<sub>9-11</sub>-branched alkyl esters; object_uuid=fo-569e4adf1e5efd29
cas_match_labels 1 — consensus_match group_key=benzoicacid,c9-11,c10-rich,branchedalkylesters||dimension=Environmental > media=Air > indoor=Unknown; group_sources=[]; cas_sources={'131298-44-7': []}; assigned CAS labels from group consensus; object_uuid=fo-569e4adf1e5efd29: {'131298-44-7': '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 {'131298-44-7': 'exactMatch'} group_key=benzoicacid,c9-11,c10-rich,branchedalkylesters||dimension=Environmental > media=Air > indoor=Unknown; group_sources=[]; cas_sources={'131298-44-7': []}; assigned CAS labels from group consensus; object_uuid=fo-569e4adf1e5efd29: {'131298-44-7': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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