alpha-Pinene, (+)-

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UUID c2c0982f-3114-4150-9a24-38dff14c0df0

Flow Object ID fo-3267045b9f13f9c3

Source EF 3.1

Context Environmental → Water → Ocean

CAS Numbers 7785-70-8

EC Numbers 232-087-8

prefLabel

Language	Value	Provenance
`en`	`alpha-Pinene, (+)-`

altLabel ⓘ

Language	Value	Provenance
`en`	`(+)-3,6,6-TRIMETHYLBICYCLO[3.1.1]HEPT-2-ENE`
`en`	`(+)-alpha-Pinene`
`en`	`(1R,5R)-alpha-pinene`
`en`	`(1R,5R)-pin-2-ene`
`en`	`alpha-Pinene(dextro)`
`en`	`(+)-(1<em>R</em>)-α-Pinene`
`en`	`(+)-(1<em>R</em>,5<em>R</em>)-α-Pinene`
`en`	`(+)-2-Pinene`
`en`	`(+)-α-Pinene`
`en`	`(1<em>R</em>)-(+)-α-Pinene`
`en`	`(1<em>R</em>)-2,6,6-Trimethylbicyclo[3.1.1]hept-2-ene`
`en`	`(1<em>R</em>)-α-Pinene`
`en`	`(1<em>R</em>,5<em>R</em>)-(+)-α-Pinene`
`en`	`(1<em>R</em>,5<em>R</em>)-2,6,6-Trimethylbicyclo[3.1.1]hept-2-ene`
`en`	`(<em>R</em>)-(+)-α-Pinene`
`en`	`2-Pinene, (1<em>R</em>,5<em>R</em>)-(+)-`
`en`	`<em>d</em>-α-Pinene`
`en`	`Bicyclo[3.1.1]hept-2-ene, 2,6,6-trimethyl-, (1<em>R</em>)-`
`en`	`Bicyclo[3.1.1]hept-2-ene, 2,6,6-trimethyl-, (1<em>R</em>,5<em>R</em>)-`
`en`	`(1r,5r)-2,6,6-trimethylbicyclo[3.1.1]hept-2-ene`

Definitions

Language	Value	Provenance
`en`	The (+)-enantiomer of α-pinene.

References

Shared Properties

Predicate	Value
Formal charge	`0`
InChIKey	`GRWFGVWFFZKLTI-RKDXNWHRSA-N`
InChI	`InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3/t8-,9-/m1/s1`
IUPAC name	`(1R,5R)-2,6,6-trimethylbicyclo[3.1.1]hept-2-ene`
Molecular formula	`C10H16`
Molecular mass	`136.238`
Monoisotopic mass	`136.1252`
SMILES	`CC1=CCC2CC1C2(C)C, CC1=CC[C@@H]2C[C@H]1C2(C)C`

Source List References

List	Version	Source Flow UUID	Source Flow Name
EF	3.1	`c2c0982f-3114-4150-9a24-38dff14c0df0`	(1r,5r)-2,6,6-trimethylbicyclo[3.1.1]hept-2-ene

Concept Associations

Source List	Source Flow	Source Context	Unit	Match Type	Conversion	Provenance
EF 3.1	(1r,5r)-2,6,6-trimethylbicyclo[3.1.1]hept-2-ene	Emissions/Emissions to water/Emissions to sea water	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=(1r,5r)-2,6,6-trimethylbicyclo[3.1.1]hept-2-ene\|\|dimension=Environmental > media=Ground > geography=Unknown; cas=7785-70-8; added Common Chemistry CAS names as altLabel: (+)-(1<em>R</em>)-α-Pinene, (+)-(1<em>R</em>,5<em>R</em>)-α-Pinene, (+)-2-Pinene, (+)-α-Pinene, (1<em>R</em>)-(+)-α-Pinene, (1<em>R</em>)-2,6,6-Trimethylbicyclo[3.1.1]hept-2-ene, (1<em>R</em>)-α-Pinene, (1<em>R</em>,5<em>R</em>)-(+)-α-Pinene, (1<em>R</em>,5<em>R</em>)-2,6,6-Trimethylbicyclo[3.1.1]hept-2-ene, (<em>R</em>)-(+)-α-Pinene, 2-Pinene, (1<em>R</em>,5<em>R</em>)-(+)-, <em>d</em>-α-Pinene, Bicyclo[3.1.1]hept-2-ene, 2,6,6-trimethyl-, (1<em>R</em>)-, Bicyclo[3.1.1]hept-2-ene, 2,6,6-trimethyl-, (1<em>R</em>,5<em>R</em>)-; object_uuid=fo-3267045b9f13f9c3
`cas_match_labels`	1	`—`	consensus_match	group_key=(1r,5r)-2,6,6-trimethylbicyclo[3.1.1]hept-2-ene\|\|dimension=Environmental > media=Ground > geography=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'7785-70-8': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-3267045b9f13f9c3: {'7785-70-8': 'exactMatch'}

Context Attributes

Attribute	Value
dimension	Environmental
media	Water
water_body	Ocean

Consensus Changes

Field	Old Value	New Value	Comment
`altLabel`	[{'@value': '(+)-3,6,6-TRIMETHYLBICYCLO[3.1.1]HEPT-2-ENE', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:(+)-3,6,6-TRIMETHYLBICYCLO[3.1.1]HEPT-2-ENE', 'http://purl.obolibrary.org/obo/CHEBI_28261', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '(+)-alpha-Pinene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:(+)-alpha-Pinene', 'http://purl.obolibrary.org/obo/CHEBI_28261', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '(1R,5R)-alpha-pinene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:(1R,5R)-alpha-pinene', 'http://purl.obolibrary.org/obo/CHEBI_28261', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '(1R,5R)-pin-2-ene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:(1R,5R)-pin-2-ene', 'http://purl.obolibrary.org/obo/CHEBI_28261', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'alpha-Pinene(dextro)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:alpha-Pinene(dextro)', 'http://purl.obolibrary.org/obo/CHEBI_28261', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}]	[{'@value': '(+)-3,6,6-TRIMETHYLBICYCLO[3.1.1]HEPT-2-ENE', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:(+)-3,6,6-TRIMETHYLBICYCLO[3.1.1]HEPT-2-ENE', 'http://purl.obolibrary.org/obo/CHEBI_28261', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '(+)-alpha-Pinene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:(+)-alpha-Pinene', 'http://purl.obolibrary.org/obo/CHEBI_28261', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '(1R,5R)-alpha-pinene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:(1R,5R)-alpha-pinene', 'http://purl.obolibrary.org/obo/CHEBI_28261', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '(1R,5R)-pin-2-ene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:(1R,5R)-pin-2-ene', 'http://purl.obolibrary.org/obo/CHEBI_28261', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'alpha-Pinene(dextro)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:alpha-Pinene(dextro)', 'http://purl.obolibrary.org/obo/CHEBI_28261', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '(+)-(1<em>R</em>)-α-Pinene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:7785-70-8', 'https://commonchemistry.cas.org/detail?cas_rn=7785-70-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '(+)-(1<em>R</em>,5<em>R</em>)-α-Pinene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:7785-70-8', 'https://commonchemistry.cas.org/detail?cas_rn=7785-70-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '(+)-2-Pinene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:7785-70-8', 'https://commonchemistry.cas.org/detail?cas_rn=7785-70-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '(+)-α-Pinene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:7785-70-8', 'https://commonchemistry.cas.org/detail?cas_rn=7785-70-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '(1<em>R</em>)-(+)-α-Pinene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:7785-70-8', 'https://commonchemistry.cas.org/detail?cas_rn=7785-70-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '(1<em>R</em>)-2,6,6-Trimethylbicyclo[3.1.1]hept-2-ene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:7785-70-8', 'https://commonchemistry.cas.org/detail?cas_rn=7785-70-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '(1<em>R</em>)-α-Pinene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:7785-70-8', 'https://commonchemistry.cas.org/detail?cas_rn=7785-70-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '(1<em>R</em>,5<em>R</em>)-(+)-α-Pinene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:7785-70-8', 'https://commonchemistry.cas.org/detail?cas_rn=7785-70-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '(1<em>R</em>,5<em>R</em>)-2,6,6-Trimethylbicyclo[3.1.1]hept-2-ene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:7785-70-8', 'https://commonchemistry.cas.org/detail?cas_rn=7785-70-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '(<em>R</em>)-(+)-α-Pinene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:7785-70-8', 'https://commonchemistry.cas.org/detail?cas_rn=7785-70-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2-Pinene, (1<em>R</em>,5<em>R</em>)-(+)-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:7785-70-8', 'https://commonchemistry.cas.org/detail?cas_rn=7785-70-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>d</em>-α-Pinene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:7785-70-8', 'https://commonchemistry.cas.org/detail?cas_rn=7785-70-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Bicyclo[3.1.1]hept-2-ene, 2,6,6-trimethyl-, (1<em>R</em>)-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:7785-70-8', 'https://commonchemistry.cas.org/detail?cas_rn=7785-70-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Bicyclo[3.1.1]hept-2-ene, 2,6,6-trimethyl-, (1<em>R</em>,5<em>R</em>)-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:7785-70-8', 'https://commonchemistry.cas.org/detail?cas_rn=7785-70-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}]	group_key=(1r,5r)-2,6,6-trimethylbicyclo[3.1.1]hept-2-ene\|\|dimension=Environmental > media=Ground > geography=Unknown; cas=7785-70-8; added Common Chemistry CAS names as altLabel: (+)-(1<em>R</em>)-α-Pinene, (+)-(1<em>R</em>,5<em>R</em>)-α-Pinene, (+)-2-Pinene, (+)-α-Pinene, (1<em>R</em>)-(+)-α-Pinene, (1<em>R</em>)-2,6,6-Trimethylbicyclo[3.1.1]hept-2-ene, (1<em>R</em>)-α-Pinene, (1<em>R</em>,5<em>R</em>)-(+)-α-Pinene, (1<em>R</em>,5<em>R</em>)-2,6,6-Trimethylbicyclo[3.1.1]hept-2-ene, (<em>R</em>)-(+)-α-Pinene, 2-Pinene, (1<em>R</em>,5<em>R</em>)-(+)-, <em>d</em>-α-Pinene, Bicyclo[3.1.1]hept-2-ene, 2,6,6-trimethyl-, (1<em>R</em>)-, Bicyclo[3.1.1]hept-2-ene, 2,6,6-trimethyl-, (1<em>R</em>,5<em>R</em>)-; object_uuid=fo-3267045b9f13f9c3
`cas_match_labels`	`None`	`{'7785-70-8': 'exactMatch'}`	group_key=(1r,5r)-2,6,6-trimethylbicyclo[3.1.1]hept-2-ene\|\|dimension=Environmental > media=Ground > geography=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'7785-70-8': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-3267045b9f13f9c3: {'7785-70-8': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

{
  "uuid": "c2c0982f-3114-4150-9a24-38dff14c0df0",
  "name": null,
  "cas_numbers": [
    "7785-70-8"
  ],
  "ec_numbers": [
    "232-087-8"
  ],
  "context": {
    "dimension": "Environmental",
    "media": "Water",
    "water_body": "Ocean"
  },
  "general_comment": null,
  "synonyms": [],
  "unit": "kg",
  "lcia_methods": [
    {
      "method_uuid": "05316e7a-b254-4bea-9cf0-6bf33eb5c630",
      "name": "Ecotoxicity, freshwater",
      "methodology": "Environmental Footprint",
      "impact_category": "Aquatic eco-toxicity",
      "impact_indicator": "Comparative Toxic Unit for ecosystems (CTUe) ",
      "characterization_factor": 0.0017264
    },
    {
      "method_uuid": "fd530f00-9325-424a-92ef-aaac67922fd9",
      "name": "Ecotoxicity, freshwater_organics",
      "methodology": "Environmental Footprint",
      "impact_category": "Aquatic eco-toxicity",
      "impact_indicator": "Comparative Toxic Unit for ecosystems (CTUe) ",
      "characterization_factor": 0.0017264
    }
  ],
  "source": "EF 3.1",
  "identifier": "c2c0982f-3114-4150-9a24-38dff14c0df0",
  "input_datasets": [
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  "source_refs": [
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      "source_flow_name": "(1r,5r)-2,6,6-trimethylbicyclo[3.1.1]hept-2-ene",
      "source_metadata": {
        "input_file": "/home/cmutel/.local/share/consensus-flow-list/ef-31-flows.json",
        "input_dataset": "EF 3.1",
        "original_context": [
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          "Emissions to water",
          "Emissions to sea water"
        ]
      }
    }
  ],
  "prefLabel": [
    {
      "@value": "alpha-Pinene, (+)-",
      "@language": "en",
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    "context": "default_context_mapping",
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    "cas_match_labels": "consensus_match"
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  "properties": {
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      "rdfs:label": "Molecular formula",
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    },
    "https://w3id.org/chemrof/smiles_string": {
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      "rdfs:label": "SMILES",
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    "https://w3id.org/chemrof/inchi2d_string": {
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      "rdfs:label": "InChI",
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    "https://w3id.org/chemrof/inchi2d_key_string": {
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      "@value": [
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      "rdfs:label": "InChIKey",
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    },
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      "@value": [
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      "rdfs:label": "Molecular mass",
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL",
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    "https://w3id.org/chemrof/monoisotopic_mass": {
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