Cyclohexaneacetic acid, methyl ester

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Cyclohexaneacetic acid, methyl ester

UUID 027d00af-766d-492f-a6ac-e21582d1e895

Flow Object ID fo-788f812dfe2e4f4e

Source EF 3.1

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

CAS Numbers 14352-61-5

EC Numbers 700-789-8

prefLabel

Language	Value	Provenance
`en`	`Cyclohexaneacetic acid, methyl ester`

altLabel ⓘ

Language	Value	Provenance
`en`	`Cyclohexylacetic acid methyl ester`
`en`	`Methyl cyclohexaneacetate`
`en`	`NSC 68511`
`en`	`Methyl Cyclohexylacetate`

References

Shared Properties

Predicate	Value
InChIKey	`IMXBRVLCKXGWSS-UHFFFAOYSA-N`
InChI	`InChI=1S/C9H16O2/c1-11-9(10)7-8-5-3-2-4-6-8/h8H,2-7H2,1H3`
IUPAC name	`2-cyclohexylacetic acid methyl ester, methyl 2-cyclohexylacetate, methyl 2-cyclohexylethanoate`
Molecular formula	`C9H16O2`
Molecular mass	`156.225`
Monoisotopic mass	`156.11503`
SMILES	`COC(=O)CC1CCCCC1`

Source List References

List	Version	Source Flow UUID	Source Flow Name
EF	3.1	`027d00af-766d-492f-a6ac-e21582d1e895`	methyl cyclohexylacetate

Concept Associations

Source List	Source Flow	Source Context	Unit	Match Type	Conversion	Provenance
EF 3.1	methyl cyclohexylacetate	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`	1	`—`	consensus_match	group_key=methylcyclohexylacetate\|\|dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=14352-61-5; added Common Chemistry CAS names as altLabel: Cyclohexaneacetic acid, methyl ester, Cyclohexylacetic acid methyl ester, Methyl cyclohexaneacetate, NSC 68511; object_uuid=fo-788f812dfe2e4f4e
`cas_match_labels`	1	`—`	consensus_match	group_key=methylcyclohexylacetate\|\|dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['pubchem']; cas_sources={'14352-61-5': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-788f812dfe2e4f4e: {'14352-61-5': 'exactMatch'}

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
`altLabel`	`None`	[{'@value': 'Cyclohexaneacetic acid, methyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:14352-61-5', 'https://commonchemistry.cas.org/detail?cas_rn=14352-61-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Cyclohexylacetic acid methyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:14352-61-5', 'https://commonchemistry.cas.org/detail?cas_rn=14352-61-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Methyl cyclohexaneacetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:14352-61-5', 'https://commonchemistry.cas.org/detail?cas_rn=14352-61-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 68511', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:14352-61-5', 'https://commonchemistry.cas.org/detail?cas_rn=14352-61-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}]	group_key=methylcyclohexylacetate\|\|dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=14352-61-5; added Common Chemistry CAS names as altLabel: Cyclohexaneacetic acid, methyl ester, Cyclohexylacetic acid methyl ester, Methyl cyclohexaneacetate, NSC 68511; object_uuid=fo-788f812dfe2e4f4e
`cas_match_labels`	`None`	`{'14352-61-5': 'exactMatch'}`	group_key=methylcyclohexylacetate\|\|dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['pubchem']; cas_sources={'14352-61-5': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-788f812dfe2e4f4e: {'14352-61-5': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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  "name": null,
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    "strata": "Ground level",
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  },
  "general_comment": null,
  "synonyms": [],
  "unit": "kg",
  "lcia_methods": [
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      "name": "Ecotoxicity, freshwater",
      "methodology": "Environmental Footprint",
      "impact_category": "Aquatic eco-toxicity",
      "impact_indicator": "Comparative Toxic Unit for ecosystems (CTUe) ",
      "characterization_factor": 1.3152
    },
    {
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      "name": "Ecotoxicity, freshwater_organics",
      "methodology": "Environmental Footprint",
      "impact_category": "Aquatic eco-toxicity",
      "impact_indicator": "Comparative Toxic Unit for ecosystems (CTUe) ",
      "characterization_factor": 1.3152
    }
  ],
  "source": "EF 3.1",
  "identifier": "027d00af-766d-492f-a6ac-e21582d1e895",
  "input_datasets": [
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      "source_flow_uuid": "027d00af-766d-492f-a6ac-e21582d1e895",
      "source_flow_name": "methyl cyclohexylacetate",
      "source_metadata": {
        "input_file": "/home/cmutel/.local/share/consensus-flow-list/ef-31-flows.json",
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      "@language": "en",
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    {
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  "cas_match_labels": {
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