Isopropyl Isodecanoate

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UUID d23d7b9b-9ad4-42c1-a8bf-5bfe86eef1e2

Flow Object ID fo-0b26cc2f3e904f3b

Source EF 3.1

Context Environmental → Ground → Agricultural

CAS Numbers 68171-33-5

EC Numbers 269-023-3

prefLabel

Language	Value	Provenance
`en`	`Isopropyl Isodecanoate`

altLabel ⓘ

Language	Value	Provenance
`en`	`Crodamol IPIS`
`en`	`Isooctadecanoic acid, 1-methylethyl ester`
`en`	`Isopropyl isostearate`
`en`	`Nikkol EPIS`
`en`	`Nikkol IPIS`
`en`	`Prisorine 2021`
`en`	`Prisorine IPIS 2021`
`en`	`Schercemol 318`
`en`	`Unimate IPIS`
`en`	`Wickenol 131`
`en`	`Witconol 2310`

References

Shared Properties

Predicate	Value
InChIKey	`AZWADIJRMQEJIN-LKZGGBSQSA-N, NEOZOXKVMDBOSG-UHFFFAOYSA-N`
InChI	`InChI=1S/C21H42O2/c1-19(2)17-15-13-11-9-7-5-6-8-10-12-14-16-18-21(22)23-20(3)4/h19-20H,5-18H2,1-4H3, InChI=1S/C22H32O3/c1-21(2)11-16-13(10-20(21)25)4-5-15-14(16)8-9-22(3)17(15)6-7-18(22)19(24)12-23/h10,14-18,23H,4-9,11-12H2,1-3H3/t14-,15+,16-,17-,18+,22-/m0/s1`
IUPAC name	(8R,9S,10R,13S,14S,17S)-17-(2-hydroxy-1-oxoethyl)-2,2,13-trimethyl-1,6,7,8,9,10,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one, (8R,9S,10R,13S,14S,17S)-17-(2-hydroxyacetyl)-2,2,13-trimethyl-1,6,7,8,9,10,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one, (8R,9S,10R,13S,14S,17S)-17-glycoloyl-2,2,13-trimethyl-1,6,7,8,9,10,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one, (8R,9S,10R,13S,14S,17S)-2,2,13-trimethyl-17-(2-oxidanylethanoyl)-1,6,7,8,9,10,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one, 16-methylheptadecanoic acid isopropyl ester, 16-methylheptadecanoic acid propan-2-yl ester, isopropyl 16-methylheptadecanoate, propan-2-yl 16-methylheptadecanoate
Molecular formula	`C21H42O2, C22H32O3`
SMILES	`CC(C)CCCCCCCCCCCCCCC(=O)OC(C)C, CC1(CC2C3CCC4(C(C3CCC2=CC1=O)CCC4C(=O)CO)C)C, C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)CO)CCC4=CC(=O)C(C[C@H]34)(C)C`

Source List References

List	Version	Source Flow UUID	Source Flow Name
EF	3.1	`d23d7b9b-9ad4-42c1-a8bf-5bfe86eef1e2`	isopropyl isodecanoate

Concept Associations

Source List	Source Flow	Source Context	Unit	Match Type	Conversion	Provenance
EF 3.1	isopropyl isodecanoate	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=isopropylisodecanoate\|\|dimension=Environmental > media=Water > water_body=Unknown; cas=68171-33-5; added Common Chemistry CAS names as altLabel: Crodamol IPIS, Isooctadecanoic acid, 1-methylethyl ester, Isopropyl isostearate, Nikkol EPIS, Nikkol IPIS, Prisorine 2021, Prisorine IPIS 2021, Schercemol 318, Unimate IPIS, Wickenol 131, Witconol 2310; object_uuid=fo-0b26cc2f3e904f3b
`cas_match_labels`	1	`—`	consensus_match	group_key=isopropylisodecanoate\|\|dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'68171-33-5': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-0b26cc2f3e904f3b: {'68171-33-5': 'exactMatch'}

Context Attributes

Attribute	Value
dimension	Environmental
media	Ground
geography	Agricultural

Consensus Changes

Field	Old Value	New Value	Comment
`altLabel`	`None`	[{'@value': 'Crodamol IPIS', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:68171-33-5', 'https://commonchemistry.cas.org/detail?cas_rn=68171-33-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Isooctadecanoic acid, 1-methylethyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:68171-33-5', 'https://commonchemistry.cas.org/detail?cas_rn=68171-33-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Isopropyl isostearate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:68171-33-5', 'https://commonchemistry.cas.org/detail?cas_rn=68171-33-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Nikkol EPIS', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:68171-33-5', 'https://commonchemistry.cas.org/detail?cas_rn=68171-33-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Nikkol IPIS', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:68171-33-5', 'https://commonchemistry.cas.org/detail?cas_rn=68171-33-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Prisorine 2021', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:68171-33-5', 'https://commonchemistry.cas.org/detail?cas_rn=68171-33-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Prisorine IPIS 2021', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:68171-33-5', 'https://commonchemistry.cas.org/detail?cas_rn=68171-33-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Schercemol 318', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:68171-33-5', 'https://commonchemistry.cas.org/detail?cas_rn=68171-33-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Unimate IPIS', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:68171-33-5', 'https://commonchemistry.cas.org/detail?cas_rn=68171-33-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Wickenol 131', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:68171-33-5', 'https://commonchemistry.cas.org/detail?cas_rn=68171-33-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Witconol 2310', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:68171-33-5', 'https://commonchemistry.cas.org/detail?cas_rn=68171-33-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}]	group_key=isopropylisodecanoate\|\|dimension=Environmental > media=Water > water_body=Unknown; cas=68171-33-5; added Common Chemistry CAS names as altLabel: Crodamol IPIS, Isooctadecanoic acid, 1-methylethyl ester, Isopropyl isostearate, Nikkol EPIS, Nikkol IPIS, Prisorine 2021, Prisorine IPIS 2021, Schercemol 318, Unimate IPIS, Wickenol 131, Witconol 2310; object_uuid=fo-0b26cc2f3e904f3b
`cas_match_labels`	`None`	`{'68171-33-5': 'exactMatch'}`	group_key=isopropylisodecanoate\|\|dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'68171-33-5': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-0b26cc2f3e904f3b: {'68171-33-5': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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        "(8R,9S,10R,13S,14S,17S)-17-(2-hydroxyacetyl)-2,2,13-trimethyl-1,6,7,8,9,10,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one",
        "(8R,9S,10R,13S,14S,17S)-17-glycoloyl-2,2,13-trimethyl-1,6,7,8,9,10,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one",
        "(8R,9S,10R,13S,14S,17S)-2,2,13-trimethyl-17-(2-oxidanylethanoyl)-1,6,7,8,9,10,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one",
        "16-methylheptadecanoic acid isopropyl ester",
        "16-methylheptadecanoic acid propan-2-yl ester",
        "isopropyl 16-methylheptadecanoate",
        "propan-2-yl 16-methylheptadecanoate"
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