Dimethyl Octadecylphosphonate

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Dimethyl Octadecylphosphonate

UUID 3c046322-2dab-48f7-9adb-6767ce5367fe

Flow Object ID fo-e257b98060bf12a4

Source EF 3.1

Context Environmental → Air → Ground level → Urban (>1000 people/square mile)

CAS Numbers 25371-54-4

EC Numbers 246-904-0

prefLabel

Language	Value	Provenance
`en`	`Dimethyl Octadecylphosphonate`

altLabel ⓘ

Language	Value	Provenance
`en`	`Duraphos 100`
`en`	`Octadecylphosphonic acid dimethyl ester`
`en`	`Phosphonic acid, <em>P</em>-octadecyl-, dimethyl ester`
`en`	`Phosphonic acid, octadecyl-, dimethyl ester`

References

Shared Properties

Predicate	Value
InChIKey	`FPYLHOQPWCQAIJ-UHFFFAOYSA-N, RLAAWRVSLGRFJS-IINWTGMXSA-N, RLAAWRVSLGRFJS-UHFFFAOYSA-N`
InChI	InChI=1S/C20H43O3P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24(21,22-2)23-3/h4-20H2,1-3H3, InChI=1S/C29H23N5O11S3/c1-16(35)28(17(2)36)31-30-20-11-9-18(25(13-20)46(37,38)39)7-8-19-10-12-21(14-26(19)47(40,41)42)34-32-24-15-27(48(43,44)45)22-5-3-4-6-23(22)29(24)33-34/h3-15,28H,1-2H3,(H,37,38,39)(H,40,41,42)(H,43,44,45), InChI=1S/C29H23N5O11S3/c1-16(35)28(17(2)36)31-30-20-11-9-18(25(13-20)46(37,38)39)7-8-19-10-12-21(14-26(19)47(40,41)42)34-32-24-15-27(48(43,44)45)22-5-3-4-6-23(22)29(24)33-34/h3-15,28H,1-2H3,(H,37,38,39)(H,40,41,42)(H,43,44,45)/b8-7+,31-30?
IUPAC name	1-dimethoxyphosphoryloctadecane, 2-[4-[(E)-2-[4-(1-acetyl-2-keto-propyl)azo-2-sulfo-phenyl]vinyl]-3-sulfo-phenyl]benzo[e]benzotriazole-5-sulfonic acid, 2-[4-[(E)-2-[4-(1-acetyl-2-oxo-propyl)azo-2-sulfo-phenyl]vinyl]-3-sulfo-phenyl]benzo[e]benzotriazole-5-sulfonic acid, 2-[4-[(E)-2-[4-(2,4-dioxopentan-3-ylazo)-2-sulfophenyl]ethenyl]-3-sulfophenyl]-5-benzo[e]benzotriazolesulfonic acid, 2-[4-[(E)-2-[4-(2,4-dioxopentan-3-yldiazenyl)-2-sulfophenyl]ethenyl]-3-sulfophenyl]benzo[e]benzotriazole-5-sulfonic acid, 2-[4-[(E)-2-[4-[2,4-bis(oxidanylidene)pentan-3-yldiazenyl]-2-sulfo-phenyl]ethenyl]-3-sulfo-phenyl]benzo[e]benzotriazole-5-sulfonic acid, 2-[4-[2-[4-(1-acetyl-2-keto-propyl)azo-2-sulfo-phenyl]vinyl]-3-sulfo-phenyl]benzo[e]benzotriazole-5-sulfonic acid, 2-[4-[2-[4-(1-acetyl-2-oxo-propyl)azo-2-sulfo-phenyl]vinyl]-3-sulfo-phenyl]benzo[e]benzotriazole-5-sulfonic acid, 2-[4-[2-[4-(2,4-dioxopentan-3-ylazo)-2-sulfophenyl]ethenyl]-3-sulfophenyl]-5-benzo[e]benzotriazolesulfonic acid, 2-[4-[2-[4-(2,4-dioxopentan-3-yldiazenyl)-2-sulfophenyl]ethenyl]-3-sulfophenyl]benzo[e]benzotriazole-5-sulfonic acid, 2-[4-[2-[4-[2,4-bis(oxidanylidene)pentan-3-yldiazenyl]-2-sulfo-phenyl]ethenyl]-3-sulfo-phenyl]benzo[e]benzotriazole-5-sulfonic acid
Molecular formula	`C20H43O3P, C29H23N5O11S3`
SMILES	`CC(=O)C(C(=O)C)N=NC1=CC(=C(C=C1)/C=C/C2=C(C=C(C=C2)N3N=C4C=C(C5=CC=CC=C5C4=N3)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O, CC(=O)C(C(=O)C)N=NC1=CC(=C(C=C1)C=CC2=C(C=C(C=C2)N3N=C4C=C(C5=CC=CC=C5C4=N3)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O, CCCCCCCCCCCCCCCCCCP(=O)(OC)OC`

Source List References

List	Version	Source Flow UUID	Source Flow Name
EF	3.1	`3c046322-2dab-48f7-9adb-6767ce5367fe`	dimethyl octadecylphosphonate

Concept Associations

Source List	Source Flow	Source Context	Unit	Match Type	Conversion	Provenance
EF 3.1	dimethyl octadecylphosphonate	Emissions/Emissions to air/Emissions to urban air close to ground	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=dimethyloctadecylphosphonate\|\|dimension=Environmental > media=Water > water_body=Unknown; cas=25371-54-4; added Common Chemistry CAS names as altLabel: Duraphos 100, Octadecylphosphonic acid dimethyl ester, Phosphonic acid, <em>P</em>-octadecyl-, dimethyl ester, Phosphonic acid, octadecyl-, dimethyl ester; object_uuid=fo-e257b98060bf12a4
`cas_match_labels`	1	`—`	consensus_match	group_key=dimethyloctadecylphosphonate\|\|dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'25371-54-4': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-e257b98060bf12a4: {'25371-54-4': 'exactMatch'}

Context Attributes

Attribute	Value
dimension	Environmental
media	Air
strata	Ground level
population_density	Urban (>1000 people/square mile)

Consensus Changes

Field	Old Value	New Value	Comment
`altLabel`	`None`	[{'@value': 'Duraphos 100', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:25371-54-4', 'https://commonchemistry.cas.org/detail?cas_rn=25371-54-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Octadecylphosphonic acid dimethyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:25371-54-4', 'https://commonchemistry.cas.org/detail?cas_rn=25371-54-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Phosphonic acid, <em>P</em>-octadecyl-, dimethyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:25371-54-4', 'https://commonchemistry.cas.org/detail?cas_rn=25371-54-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Phosphonic acid, octadecyl-, dimethyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:25371-54-4', 'https://commonchemistry.cas.org/detail?cas_rn=25371-54-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}]	group_key=dimethyloctadecylphosphonate\|\|dimension=Environmental > media=Water > water_body=Unknown; cas=25371-54-4; added Common Chemistry CAS names as altLabel: Duraphos 100, Octadecylphosphonic acid dimethyl ester, Phosphonic acid, <em>P</em>-octadecyl-, dimethyl ester, Phosphonic acid, octadecyl-, dimethyl ester; object_uuid=fo-e257b98060bf12a4
`cas_match_labels`	`None`	`{'25371-54-4': 'exactMatch'}`	group_key=dimethyloctadecylphosphonate\|\|dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'25371-54-4': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-e257b98060bf12a4: {'25371-54-4': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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