2-Octynoic acid

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UUID 27f82a64-0200-4ff6-a914-70bf473251da

Flow Object ID fo-0a23369813a62fe4

Source EF 3.1

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

CAS Numbers 5663-96-7

EC Numbers 227-121-3

prefLabel ⓘ

Language	Value	Provenance
`en`	`2-Octynoic acid`

altLabel ⓘ

Language	Value	Provenance
`en`	`2-octyn-1-oic acid`
`en`	`NSC 75855`
`en`	`Pentylpropiolic acid`

Definitions

Language	Value	Provenance
`en`	An acetylenic fatty acid that is octanoic acid (caprylic acid) which has been doubly dehydrogenated at positions 2 and 3 to give the corresponding alkynoic acid. It is widely used in perfumes, lipstick, and many common food flavourings.

References

Shared Properties

Predicate	Value
Formal charge	`0`
InChIKey	`BQDKCWCMDBMLEH-UHFFFAOYSA-N`
InChI	`InChI=1S/C8H12O2/c1-2-3-4-5-6-7-8(9)10/h2-5H2,1H3,(H,9,10)`
IUPAC name	`2-octynoic acid, oct-2-ynoic acid`
Molecular formula	`C8H12O2`
Molecular mass	`140.182`
Monoisotopic mass	`140.08373`
SMILES	`CCCCCC#CC(=O)O`

Source List References

List	Version	Source Flow UUID	Source Flow Name
EF	3.1	`27f82a64-0200-4ff6-a914-70bf473251da`	oct-2-ynoic acid

Concept Associations

Source List	Source Flow	Source Context	Unit	Match Type	Conversion	Provenance
EF 3.1	oct-2-ynoic acid	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`	2	`—`	consensus_match	group_key=oct-2-ynoicacid\|\|dimension=Environmental > media=Ground > geography=Unknown; cas=5663-96-7; added Common Chemistry CAS names as altLabel: NSC 75855, Pentylpropiolic acid; object_uuid=fo-0a23369813a62fe4
`cas_match_labels`	1	`—`	consensus_match	group_key=oct-2-ynoicacid\|\|dimension=Environmental > media=Ground > geography=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'5663-96-7': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-0a23369813a62fe4: {'5663-96-7': 'exactMatch'}
`prefLabel`	1	`—`	consensus_match	cas=5663-96-7; cc_chebi_agreed_name='2-Octynoic acid'; object_uuid=fo-0a23369813a62fe4

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
`prefLabel`	`[{'@value': 'Oct-2-ynoic Acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'bootstrap_labels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['EF 3.1'], 'prov:wasDerivedFrom': 'legacy name field'}}]`	`[{'@value': '2-Octynoic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:5663-96-7'], 'prov:wasDerivedFrom': 'Common Chemistry / ChEBI primary name agreement'}}]`	cas=5663-96-7; cc_chebi_agreed_name='2-Octynoic acid'; object_uuid=fo-0a23369813a62fe4
`altLabel`	`[{'@value': '2-octyn-1-oic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:2-octyn-1-oic acid', 'http://purl.obolibrary.org/obo/CHEBI_60295', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}]`	[{'@value': '2-octyn-1-oic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:2-octyn-1-oic acid', 'http://purl.obolibrary.org/obo/CHEBI_60295', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Oct-2-ynoic Acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['EF 3.1'], 'prov:wasDerivedFrom': 'original name retained as altLabel'}}]	cas=5663-96-7; added original name as altLabel after CC/ChEBI rename; object_uuid=fo-0a23369813a62fe4
`altLabel`	[{'@value': '2-octyn-1-oic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:2-octyn-1-oic acid', 'http://purl.obolibrary.org/obo/CHEBI_60295', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Oct-2-ynoic Acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['EF 3.1'], 'prov:wasDerivedFrom': 'original name retained as altLabel'}}]	[{'@value': '2-octyn-1-oic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:2-octyn-1-oic acid', 'http://purl.obolibrary.org/obo/CHEBI_60295', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'NSC 75855', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:5663-96-7', 'https://commonchemistry.cas.org/detail?cas_rn=5663-96-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Pentylpropiolic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:5663-96-7', 'https://commonchemistry.cas.org/detail?cas_rn=5663-96-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}]	group_key=oct-2-ynoicacid\|\|dimension=Environmental > media=Ground > geography=Unknown; cas=5663-96-7; added Common Chemistry CAS names as altLabel: NSC 75855, Pentylpropiolic acid; object_uuid=fo-0a23369813a62fe4
`cas_match_labels`	`None`	`{'5663-96-7': 'exactMatch'}`	group_key=oct-2-ynoicacid\|\|dimension=Environmental > media=Ground > geography=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'5663-96-7': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-0a23369813a62fe4: {'5663-96-7': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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    "strata": "Ground level",
    "population_density": "Urban (>1000 people/square mile)"
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  "general_comment": null,
  "synonyms": [],
  "unit": "kg",
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      "characterization_factor": 6.7804
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