(3,4-dimethoxyphenyl)acetonitrile

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(3,4-dimethoxyphenyl)acetonitrile

UUID e6ae6a8d-d144-458f-a9ae-1f3d47be6c96

Flow Object ID fo-3331adc639bdf5d7

Source EF 3.1

Context Environmental → Water → Unknown

CAS Numbers 93-17-4

EC Numbers 202-225-1

prefLabel

Language	Value	Provenance
`en`	`(3,4-dimethoxyphenyl)acetonitrile`

altLabel ⓘ

Language	Value	Provenance
`en`	`2-(3,4-Dimethoxyphenyl)acetonitrile`
`en`	`3,4-Dimethoxybenzeneacetonitrile`
`en`	`3,4-Dimethoxybenzyl cyanide`
`en`	`3,4-Methyleneoxyphenyl acetonitrile`
`en`	`Acetonitrile, (3,4-dimethoxyphenyl)-`
`en`	`Benzeneacetonitrile, 3,4-dimethoxy-`
`en`	`Homoveratronitrile`
`en`	`NSC 6324`
`en`	`Veratryl cyanide`

References

Shared Properties

Predicate	Value
InChIKey	`ASLSUMISAQDOOB-UHFFFAOYSA-N, LECKQPWCSYMCDR-UHFFFAOYSA-N, UUNRWZQWCNTSCV-UHFFFAOYSA-N`
InChI	`InChI=1S/C10H11NO2/c1-12-9-4-3-8(5-6-11)7-10(9)13-2/h3-4,7H,5H2,1-2H3, InChI=1S/C10H11NO2/c1-12-9-5-8(3-4-11)6-10(7-9)13-2/h5-7H,3H2,1-2H3, InChI=1S/C11H13NO2/c1-13-10-6-5-9(4-3-7-12)8-11(10)14-2/h5-6,8H,3-4H2,1-2H3`
IUPAC name	`2-(3,4-dimethoxyphenyl)acetonitrile, 2-(3,4-dimethoxyphenyl)ethanenitrile, 2-(3,5-dimethoxyphenyl)acetonitrile, 2-(3,5-dimethoxyphenyl)ethanenitrile, 3-(3,4-dimethoxyphenyl)propanenitrile, 3-(3,4-dimethoxyphenyl)propionitrile`
Molecular formula	`C10H11NO2, C11H13NO2`
SMILES	`COC1=C(C=C(C=C1)CC#N)OC, COC1=C(C=C(C=C1)CCC#N)OC, COC1=CC(=CC(=C1)CC#N)OC`

Source List References

List	Version	Source Flow UUID	Source Flow Name
EF	3.1	`e6ae6a8d-d144-458f-a9ae-1f3d47be6c96`	(3,4-dimethoxyphenyl)acetonitrile

Concept Associations

Source List	Source Flow	Source Context	Unit	Match Type	Conversion	Provenance
EF 3.1	(3,4-dimethoxyphenyl)acetonitrile	Emissions/Emissions to water/Emissions to water, unspecified	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=(3,4-dimethoxyphenyl)acetonitrile\|\|dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=93-17-4; added Common Chemistry CAS names as altLabel: 2-(3,4-Dimethoxyphenyl)acetonitrile, 3,4-Dimethoxybenzeneacetonitrile, 3,4-Dimethoxybenzyl cyanide, 3,4-Methyleneoxyphenyl acetonitrile, Acetonitrile, (3,4-dimethoxyphenyl)-, Benzeneacetonitrile, 3,4-dimethoxy-, Homoveratronitrile, NSC 6324, Veratryl cyanide; object_uuid=fo-3331adc639bdf5d7
`cas_match_labels`	1	`—`	consensus_match	group_key=(3,4-dimethoxyphenyl)acetonitrile\|\|dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'93-17-4': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-3331adc639bdf5d7: {'93-17-4': 'exactMatch'}

Context Attributes

Attribute	Value
dimension	Environmental
media	Water
water_body	Unknown

Consensus Changes

Field	Old Value	New Value	Comment
`altLabel`	`None`	[{'@value': '2-(3,4-Dimethoxyphenyl)acetonitrile', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:93-17-4', 'https://commonchemistry.cas.org/detail?cas_rn=93-17-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '3,4-Dimethoxybenzeneacetonitrile', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:93-17-4', 'https://commonchemistry.cas.org/detail?cas_rn=93-17-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '3,4-Dimethoxybenzyl cyanide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:93-17-4', 'https://commonchemistry.cas.org/detail?cas_rn=93-17-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '3,4-Methyleneoxyphenyl acetonitrile', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:93-17-4', 'https://commonchemistry.cas.org/detail?cas_rn=93-17-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Acetonitrile, (3,4-dimethoxyphenyl)-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:93-17-4', 'https://commonchemistry.cas.org/detail?cas_rn=93-17-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Benzeneacetonitrile, 3,4-dimethoxy-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:93-17-4', 'https://commonchemistry.cas.org/detail?cas_rn=93-17-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Homoveratronitrile', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:93-17-4', 'https://commonchemistry.cas.org/detail?cas_rn=93-17-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 6324', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:93-17-4', 'https://commonchemistry.cas.org/detail?cas_rn=93-17-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Veratryl cyanide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:93-17-4', 'https://commonchemistry.cas.org/detail?cas_rn=93-17-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}]	group_key=(3,4-dimethoxyphenyl)acetonitrile\|\|dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=93-17-4; added Common Chemistry CAS names as altLabel: 2-(3,4-Dimethoxyphenyl)acetonitrile, 3,4-Dimethoxybenzeneacetonitrile, 3,4-Dimethoxybenzyl cyanide, 3,4-Methyleneoxyphenyl acetonitrile, Acetonitrile, (3,4-dimethoxyphenyl)-, Benzeneacetonitrile, 3,4-dimethoxy-, Homoveratronitrile, NSC 6324, Veratryl cyanide; object_uuid=fo-3331adc639bdf5d7
`cas_match_labels`	`None`	`{'93-17-4': 'exactMatch'}`	group_key=(3,4-dimethoxyphenyl)acetonitrile\|\|dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'93-17-4': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-3331adc639bdf5d7: {'93-17-4': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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