(2rs,4sr)-2-methyl-4-propyl-1,3-oxathiane

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(2rs,4sr)-2-methyl-4-propyl-1,3-oxathiane

UUID ca0cf5e8-5067-4aa7-b962-bd237b2891ca

Deprecated yes

Replaced By e147681f-3502-4baf-a57d-ecf84eaf26b1

Flow Object ID fo-64bd430da786a0cb

Source EF 3.1

Context Environmental → Water → Unknown

CAS Numbers 59323-76-1

EC Numbers 261-699-8

prefLabel

Language	Value	Provenance
`en`	`(2rs,4sr)-2-methyl-4-propyl-1,3-oxathiane`

altLabel ⓘ

Language	Value	Provenance
`en`	`(±)-<em>cis</em>-2-Methyl-4-propyl-1,3-oxathiane`
`en`	`1,3-Oxathiane, 2-methyl-4-propyl-, (2<em>R</em>,4<em>S</em>)-<em>rel</em>-`
`en`	`1,3-Oxathiane, 2-methyl-4-propyl-, <em>cis</em>-`
`en`	`<em>cis</em>-2-Methyl-4-propyl-1,3-oxathiane`
`en`	`<em>rel</em>-(2<em>R</em>,4<em>S</em>)-2-Methyl-4-propyl-1,3-oxathiane`

References

Shared Properties

Predicate	Value
InChIKey	`GKGOLPMYJJXRGD-JGVFFNPUSA-N, GKGOLPMYJJXRGD-SFYZADRCSA-N, GKGOLPMYJJXRGD-UHFFFAOYSA-N, YDORNACKZYOIBD-UHFFFAOYSA-N`
InChI	`InChI=1S/2C8H16OS/c21-3-4-8-5-6-9-7(2)10-8/h27-8H,3-6H2,1-2H3, InChI=1S/C8H16OS/c1-3-4-8-5-6-9-7(2)10-8/h7-8H,3-6H2,1-2H3, InChI=1S/C8H16OS/c1-3-4-8-5-6-9-7(2)10-8/h7-8H,3-6H2,1-2H3/t7-,8+/m0/s1, InChI=1S/C8H16OS/c1-3-4-8-5-6-9-7(2)10-8/h7-8H,3-6H2,1-2H3/t7-,8+/m1/s1`
IUPAC name	`(2R,4S)-2-methyl-4-propyl-1,3-oxathiane, (2S,4R)-2-methyl-4-propyl-1,3-oxathiane, 2-methyl-4-propyl-1,3-oxathiane`
Molecular formula	`C16H32O2S2, C8H16OS`
Molecular mass	`160.282`
Monoisotopic mass	`160.092186`
SMILES	`CCCC1CCOC(C)S1, CCCC1CCOC(S1)C, CCCC1CCOC(S1)C.CCCC1CCOC(S1)C, CCC[C@@H]1CCO[C@@H](S1)C, CCC[C@H]1CCO[C@H](S1)C`

Source List References

List	Version	Source Flow UUID	Source Flow Name
EF	3.1	`ca0cf5e8-5067-4aa7-b962-bd237b2891ca`	(2rs,4sr)-2-methyl-4-propyl-1,3-oxathiane

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=(2rs,4sr)-2-methyl-4-propyl-1,3-oxathiane\|\|dimension=Environmental > media=Air > indoor=Unknown; cas=59323-76-1; added Common Chemistry CAS names as altLabel: (±)-<em>cis</em>-2-Methyl-4-propyl-1,3-oxathiane, 1,3-Oxathiane, 2-methyl-4-propyl-, (2<em>R</em>,4<em>S</em>)-<em>rel</em>-, 1,3-Oxathiane, 2-methyl-4-propyl-, <em>cis</em>-, <em>cis</em>-2-Methyl-4-propyl-1,3-oxathiane, <em>rel</em>-(2<em>R</em>,4<em>S</em>)-2-Methyl-4-propyl-1,3-oxathiane; object_uuid=fo-64bd430da786a0cb
`cas_match_labels`	1	`—`	consensus_match	group_key=(2rs,4sr)-2-methyl-4-propyl-1,3-oxathiane\|\|dimension=Environmental > media=Air > indoor=Unknown; group_sources=['ec_inventory']; cas_sources={'59323-76-1': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-64bd430da786a0cb: {'59323-76-1': 'exactMatch'}

Context Attributes

Attribute	Value
dimension	Environmental
media	Water
water_body	Unknown

Consensus Changes

Field	Old Value	New Value	Comment
`altLabel`	`None`	[{'@value': '(±)-<em>cis</em>-2-Methyl-4-propyl-1,3-oxathiane', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:59323-76-1', 'https://commonchemistry.cas.org/detail?cas_rn=59323-76-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '1,3-Oxathiane, 2-methyl-4-propyl-, (2<em>R</em>,4<em>S</em>)-<em>rel</em>-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:59323-76-1', 'https://commonchemistry.cas.org/detail?cas_rn=59323-76-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '1,3-Oxathiane, 2-methyl-4-propyl-, <em>cis</em>-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:59323-76-1', 'https://commonchemistry.cas.org/detail?cas_rn=59323-76-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>cis</em>-2-Methyl-4-propyl-1,3-oxathiane', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:59323-76-1', 'https://commonchemistry.cas.org/detail?cas_rn=59323-76-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>rel</em>-(2<em>R</em>,4<em>S</em>)-2-Methyl-4-propyl-1,3-oxathiane', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:59323-76-1', 'https://commonchemistry.cas.org/detail?cas_rn=59323-76-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}]	group_key=(2rs,4sr)-2-methyl-4-propyl-1,3-oxathiane\|\|dimension=Environmental > media=Air > indoor=Unknown; cas=59323-76-1; added Common Chemistry CAS names as altLabel: (±)-<em>cis</em>-2-Methyl-4-propyl-1,3-oxathiane, 1,3-Oxathiane, 2-methyl-4-propyl-, (2<em>R</em>,4<em>S</em>)-<em>rel</em>-, 1,3-Oxathiane, 2-methyl-4-propyl-, <em>cis</em>-, <em>cis</em>-2-Methyl-4-propyl-1,3-oxathiane, <em>rel</em>-(2<em>R</em>,4<em>S</em>)-2-Methyl-4-propyl-1,3-oxathiane; object_uuid=fo-64bd430da786a0cb
`cas_match_labels`	`None`	`{'59323-76-1': 'exactMatch'}`	group_key=(2rs,4sr)-2-methyl-4-propyl-1,3-oxathiane\|\|dimension=Environmental > media=Air > indoor=Unknown; group_sources=['ec_inventory']; cas_sources={'59323-76-1': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-64bd430da786a0cb: {'59323-76-1': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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