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Acetic acid, 2-(1-oxopropoxy)-, 1-(3,3-dimethylcyclohexyl)ethyl ester

UUID 3506b77d-34b9-4ad3-ab69-03d5a9e8db45
Deprecated yes
Replaced By 399adb38-98c8-4cea-828d-5c86138931da
Flow Object IDfo-99a04b3ef962f0d6
Source EF 3.1
Context Environmental → Water → Unknown
CAS Numbers 236391-76-7
EC Numbers 607-255-2
prefLabel
Language Value Provenance
en Acetic acid, 2-(1-oxopropoxy)-, 1-(3,3-dimethylcyclohexyl)ethyl ester
altLabel ⓘ
Language Value Provenance
en 1-(3,3-Dimethylcyclohexyl)ethyl 2-(1-oxopropoxy)acetate
en Acetic acid, (1-oxopropoxy)-, 1-(3,3-dimethylcyclohexyl)ethyl ester
en Romandolide
en Reaction Mass Of (1s,1'r)-[1-(3',3'-dimethyl-1'-cyclohexyl)ethoxycarbonyl]methyl Propanoate, (1r,1'r)-[1-(3',3'-dimethyl-1'-cyclohexyl)ethoxycarbonyl]methyl Propanoate And (1r*,2'r*)-(2,6,6-trimethyl-1-cycloheptyloxycarbonyl)methyl Propanoate
References
Shared Properties
Predicate Value
InChIKey PDUFSBFWOJELLV-UHFFFAOYSA-N
InChI InChI=1S/C15H26O4/c1-5-13(16)18-10-14(17)19-11(2)12-7-6-8-15(3,4)9-12/h11-12H,5-10H2,1-4H3
IUPAC name [2-[1-(3,3-dimethylcyclohexyl)ethoxy]-2-oxidanylidene-ethyl] propanoate, [2-[1-(3,3-dimethylcyclohexyl)ethoxy]-2-oxo-ethyl] propanoate, [2-[1-(3,3-dimethylcyclohexyl)ethoxy]-2-oxoethyl] propanoate, propanoic acid [2-[1-(3,3-dimethylcyclohexyl)ethoxy]-2-oxoethyl] ester, propionic acid [2-[1-(3,3-dimethylcyclohexyl)ethoxy]-2-keto-ethyl] ester
Molecular formula C15H26O4
SMILES CCC(=O)OCC(=O)OC(C)C1CCCC(C1)(C)C

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 3506b77d-34b9-4ad3-ab69-03d5a9e8db45 reaction mass of (1s,1'r)-[1-(3',3'-dimethyl-1'-cyclohexyl)ethoxycarbonyl]methyl propanoate, (1r,1'r)-[1-(3',3'-dimethyl-1'-cyclohexyl)ethoxycarbonyl]methyl propanoate and (1r*,2'r*)-(2,6,6-trimethyl-1-cycloheptyloxycarbonyl)methyl propanoate

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=reactionmassof(1s,1'r)-[1-(3',3'-dimethyl-1'-cyclohexyl)ethoxycarbonyl]methylpropanoate,(1r,1'r)-[1-(3',3'-dimethyl-1'-cyclohexyl)ethoxycarbonyl]methylpropanoateand(1r*,2'r*)-(2,6,6-trimethyl-1-cycloheptyloxycarbonyl)methylpropanoate||dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=236391-76-7; added Common Chemistry CAS names as altLabel: 1-(3,3-Dimethylcyclohexyl)ethyl 2-(1-oxopropoxy)acetate, Acetic acid, (1-oxopropoxy)-, 1-(3,3-dimethylcyclohexyl)ethyl ester, Acetic acid, 2-(1-oxopropoxy)-, 1-(3,3-dimethylcyclohexyl)ethyl ester, Romandolide; object_uuid=fo-99a04b3ef962f0d6
cas_match_labels 1 — consensus_match group_key=reactionmassof(1s,1'r)-[1-(3',3'-dimethyl-1'-cyclohexyl)ethoxycarbonyl]methylpropanoate,(1r,1'r)-[1-(3',3'-dimethyl-1'-cyclohexyl)ethoxycarbonyl]methylpropanoateand(1r*,2'r*)-(2,6,6-trimethyl-1-cycloheptyloxycarbonyl)methylpropanoate||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=[]; cas_sources={'236391-76-7': []}; assigned CAS labels from group consensus; object_uuid=fo-99a04b3ef962f0d6: {'236391-76-7': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaWater
water_bodyUnknown

Consensus Changes

Field Old Value New Value Comment
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cas_match_labels None {'236391-76-7': 'exactMatch'} group_key=reactionmassof(1s,1'r)-[1-(3',3'-dimethyl-1'-cyclohexyl)ethoxycarbonyl]methylpropanoate,(1r,1'r)-[1-(3',3'-dimethyl-1'-cyclohexyl)ethoxycarbonyl]methylpropanoateand(1r*,2'r*)-(2,6,6-trimethyl-1-cycloheptyloxycarbonyl)methylpropanoate||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=[]; cas_sources={'236391-76-7': []}; assigned CAS labels from group consensus; object_uuid=fo-99a04b3ef962f0d6: {'236391-76-7': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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