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Reaction Mass Of Α,α-4-trimethyl-(1s)-3-cyclohexene-1-methanol And Α,α-4-trimethyl-(1r)-3-cyclohexene-1-methanol And 1-methyl-4-(1-methylethylidene)-cyclohexanol /n

UUID da434f36-d14d-41ce-8ab0-d07d8be37a4f
Flow Object IDfo-25b3ad831f44debe
Source EF 3.1
Context Environmental → Water → Unknown
CAS Numbers 8000-41-7
EC Numbers 232-268-1
prefLabel
Language Value Provenance
en Reaction Mass Of Α,α-4-trimethyl-(1s)-3-cyclohexene-1-methanol And Α,α-4-trimethyl-(1r)-3-cyclohexene-1-methanol And 1-methyl-4-(1-methylethylidene)-cyclohexanol /n
altLabel ⓘ
Language Value Provenance
en Alpha Jax
en RCI-YS 0130
en Terpineol
en Terpineol 318
en Terpineol C
en Terpineol LW
References
Shared Properties
Predicate Value
InChIKey DSSYKIVIOFKYAU-XCBNKYQSSA-N, MGABGZGUMNDCSN-UHFFFAOYSA-N, NGVQETRGDCKEAH-UHFFFAOYSA-N, WUOACPNHFRMFPN-UHFFFAOYSA-N, YHBMRMXDATWKHX-NRYJBHHQSA-N
InChI InChI=1S/2C10H18O/c1-8-4-6-9(7-5-8)10(2,3)11;1-8(2)9-4-6-10(3,11)7-5-9/h4,9,11H,5-7H2,1-3H3;9,11H,1,4-7H2,2-3H3, InChI=1S/3C10H18O/c1-8-4-6-9(7-5-8)10(2,3)11;2*1-8(2)9-4-6-10(3,11)7-5-9/h4,9,11H,5-7H2,1-3H3;11H,4-7H2,1-3H3;9,11H,1,4-7H2,2-3H3, InChI=1S/4C10H18O/c2*1-8-4-6-9(7-5-8)10(2,3)11;2*1-8(2)9-4-6-10(3,11)7-5-9/h4,9,11H,5-7H2,1-3H3;9,11H,1,4-7H2,2-3H3;11H,4-7H2,1-3H3;9,11H,1,4-7H2,2-3H3/t9-;;;/m1.../s1, InChI=1S/C10H16O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7H,4-6H2,1-3H3/t7-,10+/m1/s1, InChI=1S/C10H18O/c1-8-4-6-9(7-5-8)10(2,3)11/h4,9,11H,5-7H2,1-3H3
IUPAC name (1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanone, (1R,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one, (1R,4R)-1,7,7-trimethylnorbornan-2-one, 2-(4-methyl-1-cyclohex-3-enyl)-2-propanol, 2-(4-methyl-1-cyclohex-3-enyl)-2-propanol;1-methyl-4-(1-methylethenyl)-1-cyclohexanol, 2-(4-methyl-1-cyclohex-3-enyl)-2-propanol;1-methyl-4-(1-methylethenyl)-1-cyclohexanol;1-methyl-4-propan-2-ylidene-1-cyclohexanol, 2-(4-methylcyclohex-3-en-1-yl)propan-2-ol, 2-(4-methylcyclohex-3-en-1-yl)propan-2-ol;1-methyl-4-prop-1-en-2-yl-cyclohexan-1-ol, 2-(4-methylcyclohex-3-en-1-yl)propan-2-ol;1-methyl-4-prop-1-en-2-ylcyclohexan-1-ol, 2-(4-methylcyclohex-3-en-1-yl)propan-2-ol;1-methyl-4-propan-2-ylidene-cyclohexan-1-ol;1-methyl-4-prop-1-en-2-yl-cyclohexan-1-ol, 2-(4-methylcyclohex-3-en-1-yl)propan-2-ol;1-methyl-4-propan-2-ylidenecyclohexan-1-ol;1-methyl-4-prop-1-en-2-ylcyclohexan-1-ol, 2-[(1S)-4-methyl-1-cyclohex-3-enyl]-2-propanol;2-(4-methylenecyclohexyl)-2-propanol;1-methyl-4-(1-methylethenyl)-1-cyclohexanol;1-methyl-4-propan-2-ylidene-1-cyclohexanol, 2-[(1S)-4-methylcyclohex-3-en-1-yl]propan-2-ol;2-(4-methylidenecyclohexyl)propan-2-ol;1-methyl-4-propan-2-ylidene-cyclohexan-1-ol;1-methyl-4-prop-1-en-2-yl-cyclohexan-1-ol, 2-[(1S)-4-methylcyclohex-3-en-1-yl]propan-2-ol;2-(4-methylidenecyclohexyl)propan-2-ol;1-methyl-4-propan-2-ylidenecyclohexan-1-ol;1-methyl-4-prop-1-en-2-ylcyclohexan-1-ol, 4-isopropenyl-1-methyl-cyclohexanol;2-(4-methylcyclohex-3-en-1-yl)propan-2-ol, 4-isopropenyl-1-methyl-cyclohexanol;4-isopropylidene-1-methyl-cyclohexanol;2-(4-methylcyclohex-3-en-1-yl)propan-2-ol, 4-isopropenyl-1-methyl-cyclohexanol;4-isopropylidene-1-methyl-cyclohexanol;2-[(1S)-4-methylcyclohex-3-en-1-yl]propan-2-ol;2-(4-methylenecyclohexyl)propan-2-ol
Molecular formula C10H16O, C10H18O, C20H36O2, C30H54O3, C40H72O4
SMILES CC1(C2CCC1(C(=O)C2)C)C, CC1=CCC(CC1)C(C)(C)O, CC1=CCC(CC1)C(C)(C)O.CC(=C)C1CCC(CC1)(C)O, CC1=CCC(CC1)C(C)(C)O.CC(=C1CCC(CC1)(C)O)C.CC(=C)C1CCC(CC1)(C)O, CC1=CCC(CC1)C(C)(C)O.CC(=C1CCC(CC1)(C)O)C.CC(=C)C1CCC(CC1)(C)O.CC(C)(C1CCC(=C)CC1)O, CC1=CC[C@H](CC1)C(C)(C)O.CC(=C1CCC(CC1)(C)O)C.CC(=C)C1CCC(CC1)(C)O.CC(C)(C1CCC(=C)CC1)O, C[C@@]12CC[C@@H](C1(C)C)CC2=O

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 da434f36-d14d-41ce-8ab0-d07d8be37a4f reaction mass of α,α-4-trimethyl-(1s)-3-cyclohexene-1-methanol and α,α-4-trimethyl-(1r)-3-cyclohexene-1-methanol and 1-methyl-4-(1-methylethylidene)-cyclohexanol /n

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 reaction mass of α,α-4-trimethyl-(1s)-3-cyclohexene-1-methanol and α,α-4-trimethyl-(1r)-3-cyclohexene-1-methanol and 1-methyl-4-(1-methylethylidene)-cyclohexanol /n Emissions/Emissions to water/Emissions to water, unspecified 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=reactionmassofα,α-4-trimethyl-(1s)-3-cyclohexene-1-methanolandα,α-4-trimethyl-(1r)-3-cyclohexene-1-methanoland1-methyl-4-(1-methylethylidene)-cyclohexanol/n||dimension=Environmental > media=Air > indoor=Unknown; cas=8000-41-7; added Common Chemistry CAS names as altLabel: Alpha Jax, RCI-YS 0130, Terpineol, Terpineol 318, Terpineol C, Terpineol LW; object_uuid=fo-25b3ad831f44debe
cas_match_labels 1 — consensus_match group_key=reactionmassofα,α-4-trimethyl-(1s)-3-cyclohexene-1-methanolandα,α-4-trimethyl-(1r)-3-cyclohexene-1-methanoland1-methyl-4-(1-methylethylidene)-cyclohexanol/n||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['ec_inventory']; cas_sources={'8000-41-7': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-25b3ad831f44debe: {'8000-41-7': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaWater
water_bodyUnknown

Consensus Changes

Field Old Value New Value Comment
altLabel None [{'@value': 'Alpha Jax', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:8000-41-7', 'https://commonchemistry.cas.org/detail?cas_rn=8000-41-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'RCI-YS 0130', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:8000-41-7', 'https://commonchemistry.cas.org/detail?cas_rn=8000-41-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Terpineol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:8000-41-7', 'https://commonchemistry.cas.org/detail?cas_rn=8000-41-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Terpineol 318', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:8000-41-7', 'https://commonchemistry.cas.org/detail?cas_rn=8000-41-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Terpineol C', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:8000-41-7', 'https://commonchemistry.cas.org/detail?cas_rn=8000-41-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Terpineol LW', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:8000-41-7', 'https://commonchemistry.cas.org/detail?cas_rn=8000-41-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=reactionmassofα,α-4-trimethyl-(1s)-3-cyclohexene-1-methanolandα,α-4-trimethyl-(1r)-3-cyclohexene-1-methanoland1-methyl-4-(1-methylethylidene)-cyclohexanol/n||dimension=Environmental > media=Air > indoor=Unknown; cas=8000-41-7; added Common Chemistry CAS names as altLabel: Alpha Jax, RCI-YS 0130, Terpineol, Terpineol 318, Terpineol C, Terpineol LW; object_uuid=fo-25b3ad831f44debe
cas_match_labels None {'8000-41-7': 'exactMatch'} group_key=reactionmassofα,α-4-trimethyl-(1s)-3-cyclohexene-1-methanolandα,α-4-trimethyl-(1r)-3-cyclohexene-1-methanoland1-methyl-4-(1-methylethylidene)-cyclohexanol/n||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['ec_inventory']; cas_sources={'8000-41-7': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-25b3ad831f44debe: {'8000-41-7': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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      "impact_indicator": "Comparative Toxic Unit for human (CTUh)",
      "characterization_factor": 2.6104e-8
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  "source": "EF 3.1",
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      "source_metadata": {
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        "C10H18O",
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        "InChI=1S/3C10H18O/c1-8-4-6-9(7-5-8)10(2,3)11;2*1-8(2)9-4-6-10(3,11)7-5-9/h4,9,11H,5-7H2,1-3H3;11H,4-7H2,1-3H3;9,11H,1,4-7H2,2-3H3",
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        "(1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanone",
        "(1R,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one",
        "(1R,4R)-1,7,7-trimethylnorbornan-2-one",
        "2-(4-methyl-1-cyclohex-3-enyl)-2-propanol",
        "2-(4-methyl-1-cyclohex-3-enyl)-2-propanol;1-methyl-4-(1-methylethenyl)-1-cyclohexanol",
        "2-(4-methyl-1-cyclohex-3-enyl)-2-propanol;1-methyl-4-(1-methylethenyl)-1-cyclohexanol;1-methyl-4-propan-2-ylidene-1-cyclohexanol",
        "2-(4-methylcyclohex-3-en-1-yl)propan-2-ol",
        "2-(4-methylcyclohex-3-en-1-yl)propan-2-ol;1-methyl-4-prop-1-en-2-yl-cyclohexan-1-ol",
        "2-(4-methylcyclohex-3-en-1-yl)propan-2-ol;1-methyl-4-prop-1-en-2-ylcyclohexan-1-ol",
        "2-(4-methylcyclohex-3-en-1-yl)propan-2-ol;1-methyl-4-propan-2-ylidene-cyclohexan-1-ol;1-methyl-4-prop-1-en-2-yl-cyclohexan-1-ol",
        "2-(4-methylcyclohex-3-en-1-yl)propan-2-ol;1-methyl-4-propan-2-ylidenecyclohexan-1-ol;1-methyl-4-prop-1-en-2-ylcyclohexan-1-ol",
        "2-[(1S)-4-methyl-1-cyclohex-3-enyl]-2-propanol;2-(4-methylenecyclohexyl)-2-propanol;1-methyl-4-(1-methylethenyl)-1-cyclohexanol;1-methyl-4-propan-2-ylidene-1-cyclohexanol",
        "2-[(1S)-4-methylcyclohex-3-en-1-yl]propan-2-ol;2-(4-methylidenecyclohexyl)propan-2-ol;1-methyl-4-propan-2-ylidene-cyclohexan-1-ol;1-methyl-4-prop-1-en-2-yl-cyclohexan-1-ol",
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        "4-isopropenyl-1-methyl-cyclohexanol;2-(4-methylcyclohex-3-en-1-yl)propan-2-ol",
        "4-isopropenyl-1-methyl-cyclohexanol;4-isopropylidene-1-methyl-cyclohexanol;2-(4-methylcyclohex-3-en-1-yl)propan-2-ol",
        "4-isopropenyl-1-methyl-cyclohexanol;4-isopropylidene-1-methyl-cyclohexanol;2-[(1S)-4-methylcyclohex-3-en-1-yl]propan-2-ol;2-(4-methylenecyclohexyl)propan-2-ol"
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