Propanoic Acid, 2-hydroxy-, Octyl Ester

UUID 598f5ff4-592f-4bf3-a642-ed1cb71f15f8

Flow Object ID fo-6efb6b3abe68bcfd

Source EF 3.1

Context Environmental → Air → Ground level → Rural (<1000 people/square mile)

CAS Numbers 5464-71-1

prefLabel

Language	Value	Provenance
`en`	`Propanoic Acid, 2-hydroxy-, Octyl Ester`

altLabel ⓘ

Language	Value	Provenance
`en`	`Lactic acid, octyl ester`
`en`	`NSC 15443`
`en`	`Octyl (±)-lactate`
`en`	`Octyl lactate`

References

Shared Properties

Predicate	Value
InChIKey	`MQAQREONYKDKJC-UHFFFAOYSA-N, SFBIZPBTKROSDE-JTQLQIEISA-N, SFBIZPBTKROSDE-UHFFFAOYSA-N`
InChI	`InChI=1S/C11H22O3/c1-3-4-5-6-7-8-9-14-11(13)10(2)12/h10,12H,3-9H2,1-2H3, InChI=1S/C11H22O3/c1-3-4-5-6-7-8-9-14-11(13)10(2)12/h10,12H,3-9H2,1-2H3/t10-/m0/s1, InChI=1S/C17H13NO4/c18-17(20)16-9-14(19)13-7-6-12(8-15(13)22-16)21-10-11-4-2-1-3-5-11/h1-9H,10H2,(H2,18,20)`
IUPAC name	(2S)-2-hydroxypropanoic acid octyl ester, (2S)-2-hydroxypropionic acid octyl ester, 2-hydroxypropanoic acid octyl ester, 2-hydroxypropionic acid octyl ester, 4-oxidanylidene-7-phenylmethoxy-chromene-2-carboxamide, 4-oxo-7-phenylmethoxy-1-benzopyran-2-carboxamide, 4-oxo-7-phenylmethoxychromene-2-carboxamide, 7-benzoxy-4-keto-chromene-2-carboxamide, 7-benzyloxy-4-oxo-chromene-2-carboxamide, octyl (2S)-2-hydroxypropanoate, octyl (2S)-2-oxidanylpropanoate, octyl 2-hydroxypropanoate, octyl 2-oxidanylpropanoate
Molecular formula	`C11H22O3, C17H13NO4`
SMILES	`C1=CC=C(C=C1)COC2=CC3=C(C=C2)C(=O)C=C(O3)C(=O)N, CCCCCCCCOC(=O)C(C)O, CCCCCCCCOC(=O)[C@H](C)O`

Source List References

List	Version	Source Flow UUID	Source Flow Name
EF	3.1	`598f5ff4-592f-4bf3-a642-ed1cb71f15f8`	propanoic acid, 2-hydroxy-, octyl ester

Concept Associations

Source List	Source Flow	Source Context	Unit	Match Type	Conversion	Provenance
EF 3.1	propanoic acid, 2-hydroxy-, octyl ester	Emissions/Emissions to air/Emissions to air, unspecified (long-term)	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=propanoicacid,2-hydroxy-,octylester\|\|dimension=Environmental > media=Ground > geography=Unknown; cas=5464-71-1; added Common Chemistry CAS names as altLabel: Lactic acid, octyl ester, NSC 15443, Octyl (±)-lactate, Octyl lactate; object_uuid=fo-6efb6b3abe68bcfd
`cas_match_labels`	1	`—`	consensus_match	group_key=propanoicacid,2-hydroxy-,octylester\|\|dimension=Environmental > media=Ground > geography=Unknown; group_sources=['pubchem']; cas_sources={'5464-71-1': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-6efb6b3abe68bcfd: {'5464-71-1': 'exactMatch'}

Context Attributes

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

Consensus Changes

Field	Old Value	New Value	Comment
`altLabel`	`None`	[{'@value': 'Lactic acid, octyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:5464-71-1', 'https://commonchemistry.cas.org/detail?cas_rn=5464-71-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 15443', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:5464-71-1', 'https://commonchemistry.cas.org/detail?cas_rn=5464-71-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Octyl (±)-lactate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:5464-71-1', 'https://commonchemistry.cas.org/detail?cas_rn=5464-71-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Octyl lactate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:5464-71-1', 'https://commonchemistry.cas.org/detail?cas_rn=5464-71-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}]	group_key=propanoicacid,2-hydroxy-,octylester\|\|dimension=Environmental > media=Ground > geography=Unknown; cas=5464-71-1; added Common Chemistry CAS names as altLabel: Lactic acid, octyl ester, NSC 15443, Octyl (±)-lactate, Octyl lactate; object_uuid=fo-6efb6b3abe68bcfd
`cas_match_labels`	`None`	`{'5464-71-1': 'exactMatch'}`	group_key=propanoicacid,2-hydroxy-,octylester\|\|dimension=Environmental > media=Ground > geography=Unknown; group_sources=['pubchem']; cas_sources={'5464-71-1': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-6efb6b3abe68bcfd: {'5464-71-1': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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