4-(4,6,8-trimethyl-3-nonanyl)benzenesulfate, calcium salt

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4-(4,6,8-trimethyl-3-nonanyl)benzenesulfate, calcium salt

UUID a59d4116-453e-4d35-986f-3a864132939f

Flow Object ID fo-77ad402fa7c43f53

Source EF 3.1

Context Environmental → Ground → Agricultural

CAS Numbers 68953-96-8

EC Numbers 273-234-6

prefLabel

Language	Value	Provenance
`en`	`4-(4,6,8-trimethyl-3-nonanyl)benzenesulfate, calcium salt`

altLabel ⓘ

Language	Value	Provenance
`en`	`Benzenesulfonic acid, mono-C<sub>11-13</sub>-branched alkyl derivs., calcium salts`
`en`	`Benzenesulfonic Acid, Mono-c11-13-branched Alkyl Derivs., Calcium Salts`

References

Shared Properties

Predicate	Value
InChIKey	`MJDRWFNUPPHITA-UHFFFAOYSA-L`
InChI	`InChI=1S/2C18H30O3S.Ca/c21-6-18(15(5)12-14(4)11-13(2)3)16-7-9-17(10-8-16)22(19,20)21;/h27-10,13-15,18H,6,11-12H2,1-5H3,(H,19,20,21);/q;;+2/p-2`
IUPAC name	`calcium bis(4-(1-ethyl-2,4,6-trimethyl-heptyl)benzenesulfonate), calcium bis(4-(1-ethyl-2,4,6-trimethyl-heptyl)besylate), calcium bis(4-(4,6,8-trimethylnonan-3-yl)benzenesulfonate)`
Molecular formula	`C36H58CaO6S2`
SMILES	`CCC(C1=CC=C(C=C1)S(=O)(=O)[O-])C(C)CC(C)CC(C)C.CCC(C1=CC=C(C=C1)S(=O)(=O)[O-])C(C)CC(C)CC(C)C.[Ca+2]`

Source List References

List	Version	Source Flow UUID	Source Flow Name
EF	3.1	`a59d4116-453e-4d35-986f-3a864132939f`	benzenesulfonic acid, mono-c11-13-branched alkyl derivs., calcium salts

Concept Associations

Source List	Source Flow	Source Context	Unit	Match Type	Conversion	Provenance
EF 3.1	benzenesulfonic acid, mono-c11-13-branched alkyl derivs., calcium salts	Emissions/Emissions to soil/Emissions to agricultural soil	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=benzenesulfonicacid,mono-c11-13-branchedalkylderivs.,calciumsalts\|\|dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=68953-96-8; added Common Chemistry CAS names as altLabel: Benzenesulfonic acid, mono-C<sub>11-13</sub>-branched alkyl derivs., calcium salts; object_uuid=fo-77ad402fa7c43f53
`cas_match_labels`	1	`—`	consensus_match	group_key=benzenesulfonicacid,mono-c11-13-branchedalkylderivs.,calciumsalts\|\|dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['ec_inventory']; cas_sources={'68953-96-8': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-77ad402fa7c43f53: {'68953-96-8': 'exactMatch'}

Context Attributes

Attribute	Value
dimension	Environmental
media	Ground
geography	Agricultural

Consensus Changes

Field	Old Value	New Value	Comment
`altLabel`	`None`	`[{'@value': 'Benzenesulfonic acid, mono-C<sub>11-13</sub>-branched alkyl derivs., calcium salts', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:68953-96-8', 'https://commonchemistry.cas.org/detail?cas_rn=68953-96-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}]`	group_key=benzenesulfonicacid,mono-c11-13-branchedalkylderivs.,calciumsalts\|\|dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=68953-96-8; added Common Chemistry CAS names as altLabel: Benzenesulfonic acid, mono-C<sub>11-13</sub>-branched alkyl derivs., calcium salts; object_uuid=fo-77ad402fa7c43f53
`cas_match_labels`	`None`	`{'68953-96-8': 'exactMatch'}`	group_key=benzenesulfonicacid,mono-c11-13-branchedalkylderivs.,calciumsalts\|\|dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['ec_inventory']; cas_sources={'68953-96-8': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-77ad402fa7c43f53: {'68953-96-8': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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