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1-((3r,3ar,7r,8as)-3,6,8,8-tetramethyl-2,3,4,7,8,8a-hexahydro-1h-3a,7-methanoazulen-5-yl)ethanone

UUID 7cf51d7b-0ecf-4245-ab16-9cf978f8ad79
Flow Object IDfo-c2d0bf990a926272
Source EF 3.1
Context Environmental → Ground → Agricultural
CAS Numbers 32388-55-9
EC Numbers 251-020-3
prefLabel
Language Value Provenance
en 1-((3r,3ar,7r,8as)-3,6,8,8-tetramethyl-2,3,4,7,8,8a-hexahydro-1h-3a,7-methanoazulen-5-yl)ethanone
altLabel ⓘ
Language Value Provenance
en 1-((3R,3AR,7R,8aS)-3,6,8,8-tetramethyl-2,3,4,7,8,8a-hexahydro-1<em>H</em>-3a,7-methanoazulen-5-yl)ethan-1-one
en 1-(Cedr-8-en-9-yl)ethanone
en 1-[(3<em>R</em>,3a<em>R</em>,7<em>R</em>,8a<em>S</em>)-2,3,4,7,8,8a-Hexahydro-3,6,8,8-tetramethyl-1<em>H</em>-3a,7-methanoazulen-5-yl]ethanone
en 1-[(3R,3<em>a</em>R,7R,8<em>a</em>S)-3,6,8,8-Tetramethyl-2,3,4,7,8,8a-hexahydro-1<em>H</em>-3<em>a</em>,7-methanoazulen-5-yl]ethan-1-one
en 1-[(3R,3<em>a</em>R,7R,8<em>a</em>S)-3,6,8,8-Tetramethyl-2,3,4,7,8,8a-hexahydro-1<em>H</em>-3a,7-methanoazulen-5-yl]ethan-1-one
en 1<em>H</em>-3a,7-Methanoazulene, ethanone deriv.
en Acetyl-α-cedrene
en Acetylcedrene
en Ethanone, 1-(2,3,4,7,8,8a-hexahydro-3,6,8,8-tetramethyl-1<em>H</em>-3a,7-methanoazulen-5-yl)-, [3<em>R</em>-(3α,3aβ,7β,8aα)]-
en Ethanone, 1-[(3<em>R</em>,3a<em>R</em>,7<em>R</em>,8a<em>S</em>)-2,3,4,7,8,8a-hexahydro-3,6,8,8-tetramethyl-1<em>H</em>-3a,7-methanoazulen-5-yl]-
en Lixetone
en Vertofix
References
Shared Properties
Predicate Value
InChIKey KSLGINVMSDSASN-IMNPFHOJSA-N, MISPFOUMPIAELB-ZXQGTJDVSA-N, WXETUDXXEZHSCS-MAVITOTKSA-N, WXETUDXXEZHSCS-UKTHLTGXSA-N, YBUIAJZFOGJGLJ-DSNYRICASA-N, YBUIAJZFOGJGLJ-GWBBYGMBSA-N, YBUIAJZFOGJGLJ-LWVUGBLDSA-N, YBUIAJZFOGJGLJ-SWRJLBSHSA-N, YBUIAJZFOGJGLJ-UHFFFAOYSA-N, YBUIAJZFOGJGLJ-VUOVQGHOSA-N
InChI InChI=1S/C17H26O/c1-10-6-7-15-16(4,5)14-9-17(10,15)8-13(11(14)2)12(3)18/h10,14-15H,6-9H2,1-5H3, InChI=1S/C17H26O/c1-10-6-7-15-16(4,5)14-9-17(10,15)8-13(11(14)2)12(3)18/h10,14-15H,6-9H2,1-5H3/t10-,14+,15+,17+/m1/s1, InChI=1S/C17H26O/c1-10-6-7-15-16(4,5)14-9-17(10,15)8-13(11(14)2)12(3)18/h10,14-15H,6-9H2,1-5H3/t10-,14-,15+,17?/m1/s1, InChI=1S/C17H26O/c1-10-6-7-15-16(4,5)14-9-17(10,15)8-13(11(14)2)12(3)18/h10,14-15H,6-9H2,1-5H3/t10-,14-,15-,17-/m1/s1, InChI=1S/C17H26O/c1-10-6-7-15-16(4,5)14-9-17(10,15)8-13(11(14)2)12(3)18/h10,14-15H,6-9H2,1-5H3/t10?,14?,15?,17-/m0/s1, InChI=1S/C17H26O/c1-10-6-7-15-16(4,5)14-9-17(10,15)8-13(11(14)2)12(3)18/h10,14-15H,6-9H2,1-5H3/t10?,14?,15?,17-/m1/s1, InChI=1S/C17H26O/c1-11-7-8-17-10-14(11)16(3,4)15(17)6-5-13(17)9-12(2)18/h9,11,14-15H,5-8,10H2,1-4H3/b13-9+, InChI=1S/C17H26O/c1-11-7-8-17-10-14(11)16(3,4)15(17)6-5-13(17)9-12(2)18/h9,11,14-15H,5-8,10H2,1-4H3/b13-9-/t11-,14-,15+,17-/m1/s1, InChI=1S/C17H26O2/c1-11(18)9-12-5-6-13-15(2,3)14-10-17(12,13)8-7-16(14,4)19/h9,13-14,19H,5-8,10H2,1-4H3/b12-9+/t13-,14?,16+,17-/m0/s1, InChI=1S/C17H28O/c1-11-6-9-17-10-13(11)15(3,4)14(17)7-8-16(17,5)12(2)18/h11,13-14H,6-10H2,1-5H3/t11-,13-,14+,16+,17+/m1/s1
IUPAC name (1E)-1-(6,6,8-trimethyl-2-tricyclo[5.3.1.01,5]undecanylidene)-2-propanone, (1E)-1-(6,6,8-trimethyl-2-tricyclo[5.3.1.01,5]undecanylidene)acetone, (1E)-1-(6,6,8-trimethyl-2-tricyclo[5.3.1.01,5]undecanylidene)propan-2-one, (1E)-1-[(1R,5S,8R)-6,6,8-trimethyl-8-oxidanyl-2-tricyclo[5.3.1.01,5]undecanylidene]propan-2-one, (1E)-1-[(1R,5S,8R)-8-hydroxy-6,6,8-trimethyl-2-tricyclo[5.3.1.01,5]undecanylidene]-2-propanone, (1E)-1-[(1R,5S,8R)-8-hydroxy-6,6,8-trimethyl-2-tricyclo[5.3.1.01,5]undecanylidene]acetone, (1E)-1-[(1R,5S,8R)-8-hydroxy-6,6,8-trimethyl-2-tricyclo[5.3.1.01,5]undecanylidene]propan-2-one, (1Z)-1-[(1S,5S,7R,8R)-6,6,8-trimethyl-2-tricyclo[5.3.1.01,5]undecanylidene]-2-propanone, (1Z)-1-[(1S,5S,7R,8R)-6,6,8-trimethyl-2-tricyclo[5.3.1.01,5]undecanylidene]acetone, (1Z)-1-[(1S,5S,7R,8R)-6,6,8-trimethyl-2-tricyclo[5.3.1.01,5]undecanylidene]propan-2-one, 1-(2,6,6,8-tetramethyl-9-tricyclo[5.3.1.01,5]undec-8-enyl)ethanone, 1-[(1R)-2,6,6,8-tetramethyl-9-tricyclo[5.3.1.01,5]undec-8-enyl]ethanone, 1-[(1R,2R,5S,7R)-2,6,6,8-tetramethyl-9-tricyclo[5.3.1.01,5]undec-8-enyl]ethanone, 1-[(1S)-2,6,6,8-tetramethyl-9-tricyclo[5.3.1.01,5]undec-8-enyl]ethanone, 1-[(1S,2R,5R,7S)-2,6,6,8-tetramethyl-9-tricyclo[5.3.1.01,5]undec-8-enyl]ethanone, 1-[(1S,2R,5S,7R,8R)-2,6,6,8-tetramethyl-2-tricyclo[5.3.1.01,5]undecanyl]ethanone, 1-[(2R,5S,7S)-2,6,6,8-tetramethyl-9-tricyclo[5.3.1.01,5]undec-8-enyl]ethanone
Molecular formula C17H26O, C17H26O2, C17H28O
SMILES CC(=O)/C=C/1\CC[C@@H]2[C@]13CC[C@@](C(C3)C2(C)C)(C)O, CC(=O)C=C1CCC2C13CCC(C(C3)C2(C)C)(C)O, CC1CCC23CC1C(C2CCC3(C)C(=O)C)(C)C, CC1CCC23CC1C(C2CCC3=CC(=O)C)(C)C, CC1CCC2C13CC(C2(C)C)C(=C(C3)C(=O)C)C, CC1CCC2[C@@]13CC(C2(C)C)C(=C(C3)C(=O)C)C, CC1CCC2[C@]13CC(C2(C)C)C(=C(C3)C(=O)C)C, CC1CCC2\3CC1C(C2CC/C3=C\C(=O)C)(C)C, C[C@@H]1CC[C@@H]2C13C[C@@H](C2(C)C)C(=C(C3)C(=O)C)C, C[C@@H]1CC[C@@H]2[C@@]13C[C@H](C2(C)C)C(=C(C3)C(=O)C)C, C[C@@H]1CC[C@H]2[C@]13C[C@@H](C2(C)C)C(=C(C3)C(=O)C)C, C[C@@H]1CC[C@]23C[C@H]1C([C@@H]2CC[C@@]3(C)C(=O)C)(C)C, C[C@@H]1CC[C@]2\3C[C@H]1C([C@@H]2CC/C3=C/C(=O)C)(C)C

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 7cf51d7b-0ecf-4245-ab16-9cf978f8ad79 1-((3r,3ar,7r,8as)-3,6,8,8-tetramethyl-2,3,4,7,8,8a-hexahydro-1h-3a,7-methanoazulen-5-yl)ethanone

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 1-((3r,3ar,7r,8as)-3,6,8,8-tetramethyl-2,3,4,7,8,8a-hexahydro-1h-3a,7-methanoazulen-5-yl)ethanone Emissions/Emissions to soil/Emissions to agricultural soil 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=1-((3r,3ar,7r,8as)-3,6,8,8-tetramethyl-2,3,4,7,8,8a-hexahydro-1h-3a,7-methanoazulen-5-yl)ethanone||dimension=Environmental > media=Water > water_body=Unknown; cas=32388-55-9; added Common Chemistry CAS names as altLabel: 1-((3R,3AR,7R,8aS)-3,6,8,8-tetramethyl-2,3,4,7,8,8a-hexahydro-1<em>H</em>-3a,7-methanoazulen-5-yl)ethan-1-one, 1-(Cedr-8-en-9-yl)ethanone, 1-[(3<em>R</em>,3a<em>R</em>,7<em>R</em>,8a<em>S</em>)-2,3,4,7,8,8a-Hexahydro-3,6,8,8-tetramethyl-1<em>H</em>-3a,7-methanoazulen-5-yl]ethanone, 1-[(3R,3<em>a</em>R,7R,8<em>a</em>S)-3,6,8,8-Tetramethyl-2,3,4,7,8,8a-hexahydro-1<em>H</em>-3<em>a</em>,7-methanoazulen-5-yl]ethan-1-one, 1-[(3R,3<em>a</em>R,7R,8<em>a</em>S)-3,6,8,8-Tetramethyl-2,3,4,7,8,8a-hexahydro-1<em>H</em>-3a,7-methanoazulen-5-yl]ethan-1-one, 1<em>H</em>-3a,7-Methanoazulene, ethanone deriv., Acetyl-α-cedrene, Acetylcedrene, Ethanone, 1-(2,3,4,7,8,8a-hexahydro-3,6,8,8-tetramethyl-1<em>H</em>-3a,7-methanoazulen-5-yl)-, [3<em>R</em>-(3α,3aβ,7β,8aα)]-, Ethanone, 1-[(3<em>R</em>,3a<em>R</em>,7<em>R</em>,8a<em>S</em>)-2,3,4,7,8,8a-hexahydro-3,6,8,8-tetramethyl-1<em>H</em>-3a,7-methanoazulen-5-yl]-, Lixetone, Vertofix; object_uuid=fo-c2d0bf990a926272
cas_match_labels 1 — consensus_match group_key=1-((3r,3ar,7r,8as)-3,6,8,8-tetramethyl-2,3,4,7,8,8a-hexahydro-1h-3a,7-methanoazulen-5-yl)ethanone||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'32388-55-9': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-c2d0bf990a926272: {'32388-55-9': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaGround
geographyAgricultural

Consensus Changes

Field Old Value New Value Comment
altLabel None [{'@value': '1-((3R,3AR,7R,8aS)-3,6,8,8-tetramethyl-2,3,4,7,8,8a-hexahydro-1<em>H</em>-3a,7-methanoazulen-5-yl)ethan-1-one', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:32388-55-9', 'https://commonchemistry.cas.org/detail?cas_rn=32388-55-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '1-(Cedr-8-en-9-yl)ethanone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:32388-55-9', 'https://commonchemistry.cas.org/detail?cas_rn=32388-55-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '1-[(3<em>R</em>,3a<em>R</em>,7<em>R</em>,8a<em>S</em>)-2,3,4,7,8,8a-Hexahydro-3,6,8,8-tetramethyl-1<em>H</em>-3a,7-methanoazulen-5-yl]ethanone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:32388-55-9', 'https://commonchemistry.cas.org/detail?cas_rn=32388-55-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '1-[(3R,3<em>a</em>R,7R,8<em>a</em>S)-3,6,8,8-Tetramethyl-2,3,4,7,8,8a-hexahydro-1<em>H</em>-3<em>a</em>,7-methanoazulen-5-yl]ethan-1-one', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:32388-55-9', 'https://commonchemistry.cas.org/detail?cas_rn=32388-55-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '1-[(3R,3<em>a</em>R,7R,8<em>a</em>S)-3,6,8,8-Tetramethyl-2,3,4,7,8,8a-hexahydro-1<em>H</em>-3a,7-methanoazulen-5-yl]ethan-1-one', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:32388-55-9', 'https://commonchemistry.cas.org/detail?cas_rn=32388-55-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '1<em>H</em>-3a,7-Methanoazulene, ethanone deriv.', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:32388-55-9', 'https://commonchemistry.cas.org/detail?cas_rn=32388-55-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Acetyl-α-cedrene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:32388-55-9', 'https://commonchemistry.cas.org/detail?cas_rn=32388-55-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Acetylcedrene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:32388-55-9', 'https://commonchemistry.cas.org/detail?cas_rn=32388-55-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Ethanone, 1-(2,3,4,7,8,8a-hexahydro-3,6,8,8-tetramethyl-1<em>H</em>-3a,7-methanoazulen-5-yl)-, [3<em>R</em>-(3α,3aβ,7β,8aα)]-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:32388-55-9', 'https://commonchemistry.cas.org/detail?cas_rn=32388-55-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Ethanone, 1-[(3<em>R</em>,3a<em>R</em>,7<em>R</em>,8a<em>S</em>)-2,3,4,7,8,8a-hexahydro-3,6,8,8-tetramethyl-1<em>H</em>-3a,7-methanoazulen-5-yl]-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:32388-55-9', 'https://commonchemistry.cas.org/detail?cas_rn=32388-55-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Lixetone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:32388-55-9', 'https://commonchemistry.cas.org/detail?cas_rn=32388-55-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Vertofix', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:32388-55-9', 'https://commonchemistry.cas.org/detail?cas_rn=32388-55-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=1-((3r,3ar,7r,8as)-3,6,8,8-tetramethyl-2,3,4,7,8,8a-hexahydro-1h-3a,7-methanoazulen-5-yl)ethanone||dimension=Environmental > media=Water > water_body=Unknown; cas=32388-55-9; added Common Chemistry CAS names as altLabel: 1-((3R,3AR,7R,8aS)-3,6,8,8-tetramethyl-2,3,4,7,8,8a-hexahydro-1<em>H</em>-3a,7-methanoazulen-5-yl)ethan-1-one, 1-(Cedr-8-en-9-yl)ethanone, 1-[(3<em>R</em>,3a<em>R</em>,7<em>R</em>,8a<em>S</em>)-2,3,4,7,8,8a-Hexahydro-3,6,8,8-tetramethyl-1<em>H</em>-3a,7-methanoazulen-5-yl]ethanone, 1-[(3R,3<em>a</em>R,7R,8<em>a</em>S)-3,6,8,8-Tetramethyl-2,3,4,7,8,8a-hexahydro-1<em>H</em>-3<em>a</em>,7-methanoazulen-5-yl]ethan-1-one, 1-[(3R,3<em>a</em>R,7R,8<em>a</em>S)-3,6,8,8-Tetramethyl-2,3,4,7,8,8a-hexahydro-1<em>H</em>-3a,7-methanoazulen-5-yl]ethan-1-one, 1<em>H</em>-3a,7-Methanoazulene, ethanone deriv., Acetyl-α-cedrene, Acetylcedrene, Ethanone, 1-(2,3,4,7,8,8a-hexahydro-3,6,8,8-tetramethyl-1<em>H</em>-3a,7-methanoazulen-5-yl)-, [3<em>R</em>-(3α,3aβ,7β,8aα)]-, Ethanone, 1-[(3<em>R</em>,3a<em>R</em>,7<em>R</em>,8a<em>S</em>)-2,3,4,7,8,8a-hexahydro-3,6,8,8-tetramethyl-1<em>H</em>-3a,7-methanoazulen-5-yl]-, Lixetone, Vertofix; object_uuid=fo-c2d0bf990a926272
cas_match_labels None {'32388-55-9': 'exactMatch'} group_key=1-((3r,3ar,7r,8as)-3,6,8,8-tetramethyl-2,3,4,7,8,8a-hexahydro-1h-3a,7-methanoazulen-5-yl)ethanone||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'32388-55-9': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-c2d0bf990a926272: {'32388-55-9': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

{
  "uuid": "7cf51d7b-0ecf-4245-ab16-9cf978f8ad79",
  "name": null,
  "cas_numbers": [
    "32388-55-9"
  ],
  "ec_numbers": [
    "251-020-3"
  ],
  "context": {
    "dimension": "Environmental",
    "media": "Ground",
    "geography": "Agricultural"
  },
  "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": 3.8984
    },
    {
      "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": 3.8984
    }
  ],
  "source": "EF 3.1",
  "identifier": "7cf51d7b-0ecf-4245-ab16-9cf978f8ad79",
  "input_datasets": [
    "EF 3.1"
  ],
  "source_refs": [
    {
      "list_name": "EF",
      "list_version": "3.1",
      "source_flow_uuid": "7cf51d7b-0ecf-4245-ab16-9cf978f8ad79",
      "source_flow_name": "1-((3r,3ar,7r,8as)-3,6,8,8-tetramethyl-2,3,4,7,8,8a-hexahydro-1h-3a,7-methanoazulen-5-yl)ethanone",
      "source_metadata": {
        "input_file": "/home/cmutel/.local/share/consensus-flow-list/ef-31-flows.json",
        "input_dataset": "EF 3.1",
        "original_context": [
          "Emissions",
          "Emissions to soil",
          "Emissions to agricultural soil"
        ]
      }
    }
  ],
  "prefLabel": [
    {
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