Propanoic Acid, 2-hydroxy-, (1r,2s,5r)-5-methyl-2-(1-methylethyl)cyclohexyl Ester, (2s)-

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Propanoic Acid, 2-hydroxy-, (1r,2s,5r)-5-methyl-2-(1-methylethyl)cyclohexyl Ester, (2s)-

UUID 124042eb-6aa5-4cd0-b649-eb02f4a978b9

Flow Object ID fo-1d39f62f45611ee4

Source EF 3.1

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

CAS Numbers 61597-98-6

EC Numbers 612-179-8

prefLabel

Language	Value	Provenance
`en`	`Propanoic Acid, 2-hydroxy-, (1r,2s,5r)-5-methyl-2-(1-methylethyl)cyclohexyl Ester, (2s)-`

altLabel ⓘ

Language	Value	Provenance
`en`	`2<em>S</em>-(1<em>R</em>,2<em>S</em>,5<em>R</em>)-Menthyl lactate`
`en`	`<em>l</em>-Menthyl <span class="text-smallcaps">L</span>-Lactate`
`en`	`Propanoic acid, 2-hydroxy-, (1<em>R</em>,2<em>S</em>,5<em>R</em>)-5-methyl-2-(1-methylethyl)cyclohexyl ester, (2<em>S</em>)-`
`en`	`Propanoic acid, 2-hydroxy-, 5-methyl-2-(1-methylethyl)cyclohexyl ester, [1<em>R</em>-[1α(<em>S</em>*),2β,5α]]-`
`en`	`l-Menthyl (S)-lactate`

References

Shared Properties

Predicate	Value
InChIKey	`UJNOLBSYLSYIBM-DDHJBXDOSA-N, UJNOLBSYLSYIBM-NOOOWODRSA-N, UJNOLBSYLSYIBM-SGUBAKSOSA-N, UJNOLBSYLSYIBM-UHFFFAOYSA-N`
InChI	`InChI=1S/C13H24O3/c1-8(2)11-6-5-9(3)7-12(11)16-13(15)10(4)14/h8-12,14H,5-7H2,1-4H3, InChI=1S/C13H24O3/c1-8(2)11-6-5-9(3)7-12(11)16-13(15)10(4)14/h8-12,14H,5-7H2,1-4H3/t9-,10+,11+,12-/m1/s1, InChI=1S/C13H24O3/c1-8(2)11-6-5-9(3)7-12(11)16-13(15)10(4)14/h8-12,14H,5-7H2,1-4H3/t9-,10-,11-,12-/m1/s1, InChI=1S/C13H24O3/c1-8(2)11-6-5-9(3)7-12(11)16-13(15)10(4)14/h8-12,14H,5-7H2,1-4H3/t9-,10?,11+,12-/m1/s1`
IUPAC name	(2-isopropyl-5-methyl-cyclohexyl) 2-hydroxypropanoate, (2R)-2-hydroxypropanoic acid [(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl] ester, (2R)-2-hydroxypropionic acid [(1R,2R,5R)-2-isopropyl-5-methyl-cyclohexyl] ester, (2S)-2-hydroxypropanoic acid [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] ester, (2S)-2-hydroxypropionic acid [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] ester, (5-methyl-2-propan-2-yl-cyclohexyl) 2-oxidanylpropanoate, (5-methyl-2-propan-2-ylcyclohexyl) 2-hydroxypropanoate, 2-hydroxypropanoic acid (5-methyl-2-propan-2-ylcyclohexyl) ester, 2-hydroxypropanoic acid [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] ester, 2-hydroxypropionic acid (2-isopropyl-5-methyl-cyclohexyl) ester, 2-hydroxypropionic acid [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] ester, [(1R,2R,5R)-2-isopropyl-5-methyl-cyclohexyl] (2R)-2-hydroxypropanoate, [(1R,2R,5R)-5-methyl-2-propan-2-yl-cyclohexyl] (2R)-2-oxidanylpropanoate, [(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2R)-2-hydroxypropanoate, [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] (2S)-2-hydroxypropanoate, [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] 2-hydroxypropanoate, [(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] (2S)-2-oxidanylpropanoate, [(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] 2-oxidanylpropanoate, [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2S)-2-hydroxypropanoate, [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-hydroxypropanoate
Molecular formula	`C13H24O3`
SMILES	`CC1CCC(C(C1)OC(=O)C(C)O)C(C)C, C[C@@H]1CC[C@@H]([C@@H](C1)OC(=O)[C@@H](C)O)C(C)C, C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)C(C)O)C(C)C, C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)[C@H](C)O)C(C)C`

Source List References

List	Version	Source Flow UUID	Source Flow Name
EF	3.1	`124042eb-6aa5-4cd0-b649-eb02f4a978b9`	propanoic acid, 2-hydroxy-, (1r,2s,5r)-5-methyl-2-(1-methylethyl)cyclohexyl ester, (2s)-

Concept Associations

Source List	Source Flow	Source Context	Unit	Match Type	Conversion	Provenance
EF 3.1	propanoic acid, 2-hydroxy-, (1r,2s,5r)-5-methyl-2-(1-methylethyl)cyclohexyl ester, (2s)-	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=propanoicacid,2-hydroxy-,(1r,2s,5r)-5-methyl-2-(1-methylethyl)cyclohexylester,(2s)-\|\|dimension=Environmental > media=Ground > geography=Unknown; cas=61597-98-6; added Common Chemistry CAS names as altLabel: 2<em>S</em>-(1<em>R</em>,2<em>S</em>,5<em>R</em>)-Menthyl lactate, <em>l</em>-Menthyl <span class="text-smallcaps">L</span>-Lactate, Propanoic acid, 2-hydroxy-, (1<em>R</em>,2<em>S</em>,5<em>R</em>)-5-methyl-2-(1-methylethyl)cyclohexyl ester, (2<em>S</em>)-, Propanoic acid, 2-hydroxy-, 5-methyl-2-(1-methylethyl)cyclohexyl ester, [1<em>R</em>-[1α(<em>S</em>*),2β,5α]]-, l-Menthyl (S)-lactate; object_uuid=fo-1d39f62f45611ee4
`cas_match_labels`	1	`—`	consensus_match	group_key=propanoicacid,2-hydroxy-,(1r,2s,5r)-5-methyl-2-(1-methylethyl)cyclohexylester,(2s)-\|\|dimension=Environmental > media=Ground > geography=Unknown; group_sources=['pubchem']; cas_sources={'61597-98-6': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-1d39f62f45611ee4: {'61597-98-6': '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': '2<em>S</em>-(1<em>R</em>,2<em>S</em>,5<em>R</em>)-Menthyl lactate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:61597-98-6', 'https://commonchemistry.cas.org/detail?cas_rn=61597-98-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>l</em>-Menthyl <span class="text-smallcaps">L</span>-Lactate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:61597-98-6', 'https://commonchemistry.cas.org/detail?cas_rn=61597-98-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Propanoic acid, 2-hydroxy-, (1<em>R</em>,2<em>S</em>,5<em>R</em>)-5-methyl-2-(1-methylethyl)cyclohexyl ester, (2<em>S</em>)-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:61597-98-6', 'https://commonchemistry.cas.org/detail?cas_rn=61597-98-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Propanoic acid, 2-hydroxy-, 5-methyl-2-(1-methylethyl)cyclohexyl ester, [1<em>R</em>-[1α(<em>S</em>*),2β,5α]]-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:61597-98-6', 'https://commonchemistry.cas.org/detail?cas_rn=61597-98-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'l-Menthyl (S)-lactate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:61597-98-6', 'https://commonchemistry.cas.org/detail?cas_rn=61597-98-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}]	group_key=propanoicacid,2-hydroxy-,(1r,2s,5r)-5-methyl-2-(1-methylethyl)cyclohexylester,(2s)-\|\|dimension=Environmental > media=Ground > geography=Unknown; cas=61597-98-6; added Common Chemistry CAS names as altLabel: 2<em>S</em>-(1<em>R</em>,2<em>S</em>,5<em>R</em>)-Menthyl lactate, <em>l</em>-Menthyl <span class="text-smallcaps">L</span>-Lactate, Propanoic acid, 2-hydroxy-, (1<em>R</em>,2<em>S</em>,5<em>R</em>)-5-methyl-2-(1-methylethyl)cyclohexyl ester, (2<em>S</em>)-, Propanoic acid, 2-hydroxy-, 5-methyl-2-(1-methylethyl)cyclohexyl ester, [1<em>R</em>-[1α(<em>S</em>*),2β,5α]]-, l-Menthyl (S)-lactate; object_uuid=fo-1d39f62f45611ee4
`cas_match_labels`	`None`	`{'61597-98-6': 'exactMatch'}`	group_key=propanoicacid,2-hydroxy-,(1r,2s,5r)-5-methyl-2-(1-methylethyl)cyclohexylester,(2s)-\|\|dimension=Environmental > media=Ground > geography=Unknown; group_sources=['pubchem']; cas_sources={'61597-98-6': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-1d39f62f45611ee4: {'61597-98-6': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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        "[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] (2S)-2-hydroxypropanoate",
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