3,7-dimethyloctanenitrile

← Back to consensus flows

UUID 7b9d330a-04b9-430d-a846-10c6cb62518d

Deprecated yes

Replaced By c1c90a8b-38ae-4f33-b7da-e928e3a6283d

Flow Object ID fo-1522011f0897c751

Source EF 3.1

Context Environmental → Water → Unknown

CAS Numbers 40188-41-8

EC Numbers 403-620-3

prefLabel

Language	Value	Provenance
`en`	`3,7-dimethyloctanenitrile`

altLabel ⓘ

Language	Value	Provenance
`en`	`6,7-Dihydrocitronellyl nitrile`
`en`	`Octanenitrile, 3,7-dimethyl-`
`en`	`Tetrahydrogeranonitrile`

References

Shared Properties

Predicate	Value
InChIKey	`FBUHTNOJXVICFM-UHFFFAOYSA-N, SAPMLSXAXRULJB-SNVBAGLBSA-N, SAPMLSXAXRULJB-UHFFFAOYSA-N`
InChI	`InChI=1S/C10H19N/c1-9(2)5-4-6-10(3)7-8-11/h9-10H,4-7H2,1-3H3, InChI=1S/C10H19N/c1-9(2)5-4-6-10(3)7-8-11/h9-10H,4-7H2,1-3H3/t10-/m1/s1, InChI=1S/C5H6N2O2S/c1-2-9-5(8)4-3-10-7-6-4/h3H,2H2,1H3`
IUPAC name	`(3R)-3,7-dimethylcaprylonitrile, (3R)-3,7-dimethyloctanenitrile, 3,7-dimethylcaprylonitrile, 3,7-dimethyloctanenitrile, 4-thiadiazolecarboxylic acid ethyl ester, ethyl 1,2,3-thiadiazole-4-carboxylate, ethyl thiadiazole-4-carboxylate, thiadiazole-4-carboxylic acid ethyl ester`
Molecular formula	`C10H19N, C5H6N2O2S`
SMILES	`CC(C)CCCC(C)CC#N, CCOC(=O)C1=CSN=N1, C[C@H](CCCC(C)C)CC#N`

Source List References

List	Version	Source Flow UUID	Source Flow Name
EF	3.1	`7b9d330a-04b9-430d-a846-10c6cb62518d`	3,7-dimethyloctanenitrile

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=3,7-dimethyloctanenitrile\|\|dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=40188-41-8; added Common Chemistry CAS names as altLabel: 6,7-Dihydrocitronellyl nitrile, Octanenitrile, 3,7-dimethyl-, Tetrahydrogeranonitrile; object_uuid=fo-1522011f0897c751
`cas_match_labels`	1	`—`	consensus_match	group_key=3,7-dimethyloctanenitrile\|\|dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['pubchem']; cas_sources={'40188-41-8': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-1522011f0897c751: {'40188-41-8': 'exactMatch'}

Context Attributes

Attribute	Value
dimension	Environmental
media	Water
water_body	Unknown

Consensus Changes

Field	Old Value	New Value	Comment
`altLabel`	`None`	[{'@value': '6,7-Dihydrocitronellyl nitrile', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:40188-41-8', 'https://commonchemistry.cas.org/detail?cas_rn=40188-41-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Octanenitrile, 3,7-dimethyl-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:40188-41-8', 'https://commonchemistry.cas.org/detail?cas_rn=40188-41-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Tetrahydrogeranonitrile', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:40188-41-8', 'https://commonchemistry.cas.org/detail?cas_rn=40188-41-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}]	group_key=3,7-dimethyloctanenitrile\|\|dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=40188-41-8; added Common Chemistry CAS names as altLabel: 6,7-Dihydrocitronellyl nitrile, Octanenitrile, 3,7-dimethyl-, Tetrahydrogeranonitrile; object_uuid=fo-1522011f0897c751
`cas_match_labels`	`None`	`{'40188-41-8': 'exactMatch'}`	group_key=3,7-dimethyloctanenitrile\|\|dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['pubchem']; cas_sources={'40188-41-8': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-1522011f0897c751: {'40188-41-8': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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