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Exo-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl Acetate

UUID 72152193-4204-4581-a6ce-b6c0addb62b3
Flow Object IDfo-1e002f80f1cf05c2
Source EF 3.1
Context Environmental → Water → Ocean
CAS Numbers 125-12-2
EC Numbers 204-727-6
prefLabel
Language Value Provenance
en Exo-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl Acetate
altLabel
Language Value Provenance
en (±)-Isobornyl acetate
en <em>exo</em>-Bornyl acetate
en Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, 2-acetate, (1<em>R</em>,2<em>R</em>,4<em>R</em>)-<em>rel</em>-
en Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, acetate, (1<em>R</em>,2<em>R</em>,4<em>R</em>)-<em>rel</em>-
en Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, acetate, <em>exo</em>-
en Isoborneol, acetate
en Isobornyl acetate
en NSC 62486
en Pichtosin
en Pichtosine
References
Shared Properties
Predicate Value
InChIKey JISVTSUBJCPLSV-TWBCTODHSA-N, KGEKLUUHTZCSIP-FOGDFJRCSA-N, KGEKLUUHTZCSIP-JBLDHEPKSA-N, KGEKLUUHTZCSIP-JFGNBEQYSA-N, KGEKLUUHTZCSIP-RTYFJBAXSA-N, KGEKLUUHTZCSIP-SQLBVSGCSA-N, KGEKLUUHTZCSIP-UHFFFAOYSA-N, KGEKLUUHTZCSIP-UMNHJUIQSA-N
InChI InChI=1S/C12H20O2/c1-8(13)14-10-7-9-5-6-12(10,4)11(9,2)3/h9-10H,5-7H2,1-4H3, InChI=1S/C12H20O2/c1-8(13)14-10-7-9-5-6-12(10,4)11(9,2)3/h9-10H,5-7H2,1-4H3/t9-,10+,12-/m0/s1, InChI=1S/C12H20O2/c1-8(13)14-10-7-9-5-6-12(10,4)11(9,2)3/h9-10H,5-7H2,1-4H3/t9-,10+,12-/m1/s1, InChI=1S/C12H20O2/c1-8(13)14-10-7-9-5-6-12(10,4)11(9,2)3/h9-10H,5-7H2,1-4H3/t9-,10-,12+/m0/s1, InChI=1S/C12H20O2/c1-8(13)14-10-7-9-5-6-12(10,4)11(9,2)3/h9-10H,5-7H2,1-4H3/t9-,10-,12+/m1/s1, InChI=1S/C12H20O2/c1-8(13)14-10-7-9-5-6-12(10,4)11(9,2)3/h9-10H,5-7H2,1-4H3/t9?,10-,12?/m1/s1, InChI=1S/C12H20O2/c1-8(13)14-10-7-9-5-6-12(10,4)11(9,2)3/h9-10H,5-7H2,1-4H3/t9?,10?,12-/m1/s1, InChI=1S/C15H23N7O5/c1-21(3-2-7(16)15(25)26)4-8-10(23)11(24)14(27-8)22-6-20-9-12(17)18-5-19-13(9)22/h5-8,10-11,14,23-24H,2-4,16H2,1H3,(H,25,26)(H2,17,18,19)/t7-,8+,10+,11+,14+/m0/s1
IUPAC name (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) acetate, (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) ethanoate, (1,7,7-trimethylnorbornan-2-yl) acetate, (2S)-2-amino-4-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]methyl-methylamino]butanoic acid, (2S)-2-amino-4-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl-methyl-amino]butanoic acid, (2S)-2-amino-4-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]butanoic acid, (2S)-4-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-methyl-amino]-2-azanyl-butanoic acid, (2S)-4-[[(2R,3S,4R,5R)-5-adenin-9-yl-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl-methyl-amino]-2-amino-butyric acid, [(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] acetate, [(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] ethanoate, [(1R,2R,4R)-1,7,7-trimethylnorbornan-2-yl] acetate, [(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] acetate, [(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] ethanoate, [(1R,2R,4S)-1,7,7-trimethylnorbornan-2-yl] acetate, [(1S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] acetate, [(1S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] ethanoate, [(1S)-1,7,7-trimethylnorbornan-2-yl] acetate, [(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] acetate, [(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] ethanoate, [(1S,2S,4R)-1,7,7-trimethylnorbornan-2-yl] acetate, [(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] acetate, [(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] ethanoate, [(1S,2S,4S)-1,7,7-trimethylnorbornan-2-yl] acetate, [(2R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] acetate, [(2R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] ethanoate, [(2R)-1,7,7-trimethylnorbornan-2-yl] acetate, acetic acid (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) ester, acetic acid 2-bornyl ester, acetic acid [(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] ester, acetic acid [(1R,2R,4R)-1,7,7-trimethylnorbornan-2-yl] ester, acetic acid [(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] ester, acetic acid [(1R,2R,4S)-1,7,7-trimethylnorbornan-2-yl] ester, acetic acid [(1S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] ester, acetic acid [(1S)-1,7,7-trimethylnorbornan-2-yl] ester, acetic acid [(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] ester, acetic acid [(1S,2S,4R)-1,7,7-trimethylnorbornan-2-yl] ester, acetic acid [(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] ester, acetic acid [(1S,2S,4S)-1,7,7-trimethylnorbornan-2-yl] ester, acetic acid [(2R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] ester, acetic acid [(2R)-1,7,7-trimethylnorbornan-2-yl] ester
Molecular formula C12H20O2, C15H23N7O5
SMILES CC(=O)OC1CC2CCC1(C2(C)C)C, CC(=O)OC1CC2CC[C@]1(C2(C)C)C, CC(=O)O[C@@H]1CC2CCC1(C2(C)C)C, CC(=O)O[C@@H]1C[C@@H]2CC[C@@]1(C2(C)C)C, CC(=O)O[C@@H]1C[C@H]2CC[C@@]1(C2(C)C)C, CC(=O)O[C@H]1C[C@@H]2CC[C@]1(C2(C)C)C, CC(=O)O[C@H]1C[C@H]2CC[C@]1(C2(C)C)C, CN(CCC(C(=O)O)N)CC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)O, CN(CC[C@@H](C(=O)O)N)C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 72152193-4204-4581-a6ce-b6c0addb62b3 Exo-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl acetate

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 Exo-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl acetate 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=exo-1,7,7-trimethylbicyclo[2.2.1]hept-2-ylacetate||dimension=Environmental > media=Water > water_body=Ocean; cas=125-12-2; added Common Chemistry CAS names as altLabel: (±)-Isobornyl acetate, <em>exo</em>-Bornyl acetate, Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, 2-acetate, (1<em>R</em>,2<em>R</em>,4<em>R</em>)-<em>rel</em>-, Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, acetate, (1<em>R</em>,2<em>R</em>,4<em>R</em>)-<em>rel</em>-, Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, acetate, <em>exo</em>-, Isoborneol, acetate, Isobornyl acetate, NSC 62486, Pichtosin, Pichtosine; object_uuid=fo-1e002f80f1cf05c2
cas_match_labels 1 consensus_match group_key=exo-1,7,7-trimethylbicyclo[2.2.1]hept-2-ylacetate||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['ec_inventory', 'pubchem']; cas_sources={'125-12-2': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-1e002f80f1cf05c2: {'125-12-2': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaWater
water_bodyOcean

Consensus Changes

Field Old Value New Value Comment
altLabel None [{'@value': '(±)-Isobornyl acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:125-12-2', 'https://commonchemistry.cas.org/detail?cas_rn=125-12-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>exo</em>-Bornyl acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:125-12-2', 'https://commonchemistry.cas.org/detail?cas_rn=125-12-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, 2-acetate, (1<em>R</em>,2<em>R</em>,4<em>R</em>)-<em>rel</em>-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:125-12-2', 'https://commonchemistry.cas.org/detail?cas_rn=125-12-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, acetate, (1<em>R</em>,2<em>R</em>,4<em>R</em>)-<em>rel</em>-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:125-12-2', 'https://commonchemistry.cas.org/detail?cas_rn=125-12-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, acetate, <em>exo</em>-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:125-12-2', 'https://commonchemistry.cas.org/detail?cas_rn=125-12-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Isoborneol, acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:125-12-2', 'https://commonchemistry.cas.org/detail?cas_rn=125-12-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Isobornyl acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:125-12-2', 'https://commonchemistry.cas.org/detail?cas_rn=125-12-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 62486', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:125-12-2', 'https://commonchemistry.cas.org/detail?cas_rn=125-12-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Pichtosin', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:125-12-2', 'https://commonchemistry.cas.org/detail?cas_rn=125-12-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Pichtosine', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:125-12-2', 'https://commonchemistry.cas.org/detail?cas_rn=125-12-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=exo-1,7,7-trimethylbicyclo[2.2.1]hept-2-ylacetate||dimension=Environmental > media=Water > water_body=Ocean; cas=125-12-2; added Common Chemistry CAS names as altLabel: (±)-Isobornyl acetate, <em>exo</em>-Bornyl acetate, Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, 2-acetate, (1<em>R</em>,2<em>R</em>,4<em>R</em>)-<em>rel</em>-, Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, acetate, (1<em>R</em>,2<em>R</em>,4<em>R</em>)-<em>rel</em>-, Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, acetate, <em>exo</em>-, Isoborneol, acetate, Isobornyl acetate, NSC 62486, Pichtosin, Pichtosine; object_uuid=fo-1e002f80f1cf05c2
cas_match_labels None {'125-12-2': 'exactMatch'} group_key=exo-1,7,7-trimethylbicyclo[2.2.1]hept-2-ylacetate||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['ec_inventory', 'pubchem']; cas_sources={'125-12-2': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-1e002f80f1cf05c2: {'125-12-2': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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        "InChI=1S/C15H23N7O5/c1-21(3-2-7(16)15(25)26)4-8-10(23)11(24)14(27-8)22-6-20-9-12(17)18-5-19-13(9)22/h5-8,10-11,14,23-24H,2-4,16H2,1H3,(H,25,26)(H2,17,18,19)/t7-,8+,10+,11+,14+/m0/s1"
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        "(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) ethanoate",
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        "[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] acetate",
        "[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] ethanoate",
        "[(1R,2R,4S)-1,7,7-trimethylnorbornan-2-yl] acetate",
        "[(1S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] acetate",
        "[(1S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] ethanoate",
        "[(1S)-1,7,7-trimethylnorbornan-2-yl] acetate",
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        "[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] ethanoate",
        "[(1S,2S,4R)-1,7,7-trimethylnorbornan-2-yl] acetate",
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        "[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] ethanoate",
        "[(1S,2S,4S)-1,7,7-trimethylnorbornan-2-yl] acetate",
        "[(2R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] acetate",
        "[(2R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] ethanoate",
        "[(2R)-1,7,7-trimethylnorbornan-2-yl] acetate",
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        "acetic acid [(1R,2R,4S)-1,7,7-trimethylnorbornan-2-yl] ester",
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        "acetic acid [(1S)-1,7,7-trimethylnorbornan-2-yl] ester",
        "acetic acid [(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] ester",
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        "acetic acid [(2R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] ester",
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