Reaction Mass Of Isomers Of Methyl 2-ethylhexanoate

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Reaction Mass Of Isomers Of Methyl 2-ethylhexanoate

UUID e2573e6f-7751-4661-b9ea-4cce5fddca7d

Deprecated yes

Replaced By af860774-ae5e-49de-a796-6b157922c193

Flow Object ID fo-2074f7793ecc5777

Source EF 3.1

Context Environmental → Ground → Unknown

CAS Numbers 816-19-3

EC Numbers 212-429-2

prefLabel

Language	Value	Provenance
`en`	`Reaction Mass Of Isomers Of Methyl 2-ethylhexanoate`

altLabel ⓘ

Language	Value	Provenance
`en`	`2-Ethyl-methyl ester hexanoic acid`
`en`	`2-Ethylhexanoic acid methyl ester`
`en`	`Hexanoic acid, 2-ethyl-, methyl ester`
`en`	`Methyl 2-ethylhexanoate`

References

Shared Properties

Predicate	Value
InChIKey	`KICUISADAVMYCJ-UHFFFAOYSA-N, XTBLDMQMUSHDEN-UHFFFAOYSA-N`
InChI	`InChI=1S/C10H10N2/c11-9-5-7-3-1-2-4-8(7)6-10(9)12/h1-6H,11-12H2, InChI=1S/C9H18O2/c1-4-6-7-8(5-2)9(10)11-3/h8H,4-7H2,1-3H3`
IUPAC name	`(3-amino-2-naphthyl)amine, 2-ethylhexanoic acid methyl ester, methyl 2-ethylhexanoate, naphthalene-2,3-diamine`
Molecular formula	`C10H10N2, C9H18O2`
SMILES	`C1=CC=C2C=C(C(=CC2=C1)N)N, CCCCC(CC)C(=O)OC`

Source List References

List	Version	Source Flow UUID	Source Flow Name
EF	3.1	`e2573e6f-7751-4661-b9ea-4cce5fddca7d`	reaction mass of isomers of methyl 2-ethylhexanoate

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=reactionmassofisomersofmethyl2-ethylhexanoate\|\|dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); cas=816-19-3; added Common Chemistry CAS names as altLabel: 2-Ethyl-methyl ester hexanoic acid, 2-Ethylhexanoic acid methyl ester, Hexanoic acid, 2-ethyl-, methyl ester, Methyl 2-ethylhexanoate; object_uuid=fo-2074f7793ecc5777
`cas_match_labels`	1	`—`	consensus_match	group_key=reactionmassofisomersofmethyl2-ethylhexanoate\|\|dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['ec_inventory']; cas_sources={'816-19-3': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-2074f7793ecc5777: {'816-19-3': 'exactMatch'}

Context Attributes

Attribute	Value
dimension	Environmental
media	Ground
geography	Unknown

Consensus Changes

Field	Old Value	New Value	Comment
`altLabel`	`None`	[{'@value': '2-Ethyl-methyl ester hexanoic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:816-19-3', 'https://commonchemistry.cas.org/detail?cas_rn=816-19-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2-Ethylhexanoic acid methyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:816-19-3', 'https://commonchemistry.cas.org/detail?cas_rn=816-19-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Hexanoic acid, 2-ethyl-, methyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:816-19-3', 'https://commonchemistry.cas.org/detail?cas_rn=816-19-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Methyl 2-ethylhexanoate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:816-19-3', 'https://commonchemistry.cas.org/detail?cas_rn=816-19-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}]	group_key=reactionmassofisomersofmethyl2-ethylhexanoate\|\|dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); cas=816-19-3; added Common Chemistry CAS names as altLabel: 2-Ethyl-methyl ester hexanoic acid, 2-Ethylhexanoic acid methyl ester, Hexanoic acid, 2-ethyl-, methyl ester, Methyl 2-ethylhexanoate; object_uuid=fo-2074f7793ecc5777
`cas_match_labels`	`None`	`{'816-19-3': 'exactMatch'}`	group_key=reactionmassofisomersofmethyl2-ethylhexanoate\|\|dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['ec_inventory']; cas_sources={'816-19-3': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-2074f7793ecc5777: {'816-19-3': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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