1-Octyl 2-(phenylmethyl) 1,2-benzenedicarboxylate

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1-Octyl 2-(phenylmethyl) 1,2-benzenedicarboxylate

UUID fc848dab-77a3-44f6-b594-d4d6e8d1cc21

Flow Object ID fo-5371f372c891374a

Source EF 3.1

Context Environmental → Water → Ocean

CAS Numbers 68515-40-2

EC Numbers 271-082-5

prefLabel

Language	Value	Provenance
`en`	`1-Octyl 2-(phenylmethyl) 1,2-benzenedicarboxylate`

altLabel ⓘ

Language	Value	Provenance
`en`	`1,2-Benzenedicarboxylic acid, benzyl C<sub>7-9</sub>-branched and linear alkyl esters`
`en`	`1,2-benzenedicarboxylic Acid, Benzyl C7-9-branched And Linear Alkyl Esters`

References

Shared Properties

Predicate	Value
InChIKey	`WHHSHXMIKFVAEK-UHFFFAOYSA-N`
InChI	`InChI=1S/C23H28O4/c1-2-3-4-5-6-12-17-26-22(24)20-15-10-11-16-21(20)23(25)27-18-19-13-8-7-9-14-19/h7-11,13-16H,2-6,12,17-18H2,1H3`
IUPAC name	`2-O-benzyl 1-O-octyl benzene-1,2-dicarboxylate, O1-octyl O2-(phenylmethyl) benzene-1,2-dicarboxylate, O2-benzyl O1-octyl benzene-1,2-dicarboxylate, benzene-1,2-dicarboxylic acid O1-octyl ester O2-(phenylmethyl) ester, benzene-1,2-dicarboxylic acid O2-benzyl ester O1-octyl ester`
Molecular formula	`C23H28O4`
SMILES	`CCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCC2=CC=CC=C2`

Source List References

List	Version	Source Flow UUID	Source Flow Name
EF	3.1	`fc848dab-77a3-44f6-b594-d4d6e8d1cc21`	1,2-benzenedicarboxylic acid, benzyl c7-9-branched and linear alkyl esters

Concept Associations

Source List	Source Flow	Source Context	Unit	Match Type	Conversion	Provenance
EF 3.1	1,2-benzenedicarboxylic acid, benzyl c7-9-branched and linear alkyl esters	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=1,2-benzenedicarboxylicacid,benzylc7-9-branchedandlinearalkylesters\|\|dimension=Environmental > media=Ground > geography=Unknown; cas=68515-40-2; added Common Chemistry CAS names as altLabel: 1,2-Benzenedicarboxylic acid, benzyl C<sub>7-9</sub>-branched and linear alkyl esters; object_uuid=fo-5371f372c891374a
`cas_match_labels`	1	`—`	consensus_match	group_key=1,2-benzenedicarboxylicacid,benzylc7-9-branchedandlinearalkylesters\|\|dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory']; cas_sources={'68515-40-2': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-5371f372c891374a: {'68515-40-2': 'exactMatch'}

Context Attributes

Attribute	Value
dimension	Environmental
media	Water
water_body	Ocean

Consensus Changes

Field	Old Value	New Value	Comment
`altLabel`	`None`	`[{'@value': '1,2-Benzenedicarboxylic acid, benzyl C<sub>7-9</sub>-branched and linear alkyl esters', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:68515-40-2', 'https://commonchemistry.cas.org/detail?cas_rn=68515-40-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}]`	group_key=1,2-benzenedicarboxylicacid,benzylc7-9-branchedandlinearalkylesters\|\|dimension=Environmental > media=Ground > geography=Unknown; cas=68515-40-2; added Common Chemistry CAS names as altLabel: 1,2-Benzenedicarboxylic acid, benzyl C<sub>7-9</sub>-branched and linear alkyl esters; object_uuid=fo-5371f372c891374a
`cas_match_labels`	`None`	`{'68515-40-2': 'exactMatch'}`	group_key=1,2-benzenedicarboxylicacid,benzylc7-9-branchedandlinearalkylesters\|\|dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory']; cas_sources={'68515-40-2': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-5371f372c891374a: {'68515-40-2': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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