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Decanoic Acid, Mixed Esters With Neopentyl Glycol And Octanoic Acid

Flow Object IDfo-a2d2216533f6546c
TypeConsensus
prefLabel
Label Language
Decanoic Acid, Mixed Esters With Neopentyl Glycol And Octanoic Acid en
CAS Numbers70693-32-2
EC Numbers274-764-0
Changes Applied13

Properties

Predicate Value
InChIKey PDYOTPOJFZAOIS-UHFFFAOYSA-N, VRGOHWCLNWWDLI-UHFFFAOYSA-N, ZBFPZUMLGZJSNN-MDZDMXLPSA-N
InChI InChI=1S/C10H20O2.C8H16O2.C5H12O2/c1-2-3-4-5-6-7-8-9-10(11)12;1-2-3-4-5-6-7-8(9)10;1-5(2,3-6)4-7/h2-9H2,1H3,(H,11,12);2-7H2,1H3,(H,9,10);6-7H,3-4H2,1-2H3, InChI=1S/C16H16O2/c1-17-15-7-3-5-13(11-15)9-10-14-6-4-8-16(12-14)18-2/h3-12H,1-2H3/b10-9+, InChI=1S/C21H40O4.2C10H20O2/c1-5-7-9-11-13-15-19(22)24-17-21(3,4)18-25-20(23)16-14-12-10-8-6-2;2*1-2-3-4-5-6-7-8-9-10(11)12/h5-18H2,1-4H3;2*2-9H2,1H3,(H,11,12)
IUPAC name 1-methoxy-3-[(E)-2-(3-methoxyphenyl)ethenyl]benzene, 1-methoxy-3-[(E)-2-(3-methoxyphenyl)vinyl]benzene, bis(decanoic acid);(2,2-dimethyl-3-octanoyloxy-propyl) octanoate, bis(decanoic acid);(2,2-dimethyl-3-octanoyloxypropyl) octanoate, bis(decanoic acid);octanoic acid [2,2-dimethyl-3-(1-oxooctoxy)propyl] ester, capric acid;caprylic acid (3-caprylyloxy-2,2-dimethyl-propyl) ester, capric acid;caprylic acid;2,2-dimethylpropane-1,3-diol, decanoic acid;2,2-dimethylpropane-1,3-diol;octanoic acid
Molecular formula C16H16O2, C23H48O6, C41H80O8
SMILES CCCCCCCCCC(=O)O.CCCCCCCC(=O)O.CC(C)(CO)CO, CCCCCCCCCC(=O)O.CCCCCCCCCC(=O)O.CCCCCCCC(=O)OCC(C)(C)COC(=O)CCCCCCC, COC1=CC=CC(=C1)/C=C/C2=CC(=CC=C2)OC, COC1=CC=CC(=C1)C=CC2=CC(=CC=C2)OC

References

Linked Elementary Flows

UUID Source Unit Context LCIA Factors Consensus Changes
9886b20e… EF 3.1 kg Environmental → Air → Aircraft cruise height 4 1
21098b9c… EF 3.1 kg Environmental → Air → Ground level → Rural (<1000 people/square mile) 0 1
322b77ba… EF 3.1 kg Environmental → Air → Ground level → Urban (>1000 people/square mile) 4 1
6d799167… EF 3.1 kg Environmental → Air → High stack, >150 meters 4 1
380e79a9… EF 3.1 kg Environmental → Air → Unknown 4 1
eb57d473… EF 3.1 kg Environmental → Air → Unknown 4 1
567092b0… EF 3.1 kg Environmental → Ground → Agricultural 4 1
26979676… EF 3.1 kg Environmental → Ground → Unknown 4 1
53bac5e7… EF 3.1 kg Environmental → Water → Ocean 4 1
ad0bfee5… EF 3.1 kg Environmental → Water → Surface water 4 1
8c436495… EF 3.1 kg Environmental → Water → Unknown 4 1
▶

Changes Applied
Elementary Flow Field Old Value New Value Comment
21098b9c… cas_match_labels — {"70693-32-2":"exactMatch"} group_key=decanoicacid,mixedesterswithneopentylglycolandoctanoicacid||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['ec_inventory']; cas_sources={'70693-32-2': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-a2d2216533f6546c: {'70693-32-2': 'exactMatch'}
26979676… cas_match_labels — {"70693-32-2":"exactMatch"} group_key=decanoicacid,mixedesterswithneopentylglycolandoctanoicacid||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['ec_inventory']; cas_sources={'70693-32-2': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-a2d2216533f6546c: {'70693-32-2': 'exactMatch'}
322b77ba… cas_match_labels — {"70693-32-2":"exactMatch"} group_key=decanoicacid,mixedesterswithneopentylglycolandoctanoicacid||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['ec_inventory']; cas_sources={'70693-32-2': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-a2d2216533f6546c: {'70693-32-2': 'exactMatch'}
33246de5… cas_match_labels — {"70693-32-2":"exactMatch"} group_key=decanoicacid,mixedesterswithneopentylglycolandoctanoicacid||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['ec_inventory']; cas_sources={'70693-32-2': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-a2d2216533f6546c: {'70693-32-2': 'exactMatch'}
380e79a9… cas_match_labels — {"70693-32-2":"exactMatch"} group_key=decanoicacid,mixedesterswithneopentylglycolandoctanoicacid||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['ec_inventory']; cas_sources={'70693-32-2': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-a2d2216533f6546c: {'70693-32-2': 'exactMatch'}
53bac5e7… cas_match_labels — {"70693-32-2":"exactMatch"} group_key=decanoicacid,mixedesterswithneopentylglycolandoctanoicacid||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['ec_inventory']; cas_sources={'70693-32-2': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-a2d2216533f6546c: {'70693-32-2': 'exactMatch'}
567092b0… cas_match_labels — {"70693-32-2":"exactMatch"} group_key=decanoicacid,mixedesterswithneopentylglycolandoctanoicacid||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['ec_inventory']; cas_sources={'70693-32-2': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-a2d2216533f6546c: {'70693-32-2': 'exactMatch'}
6d799167… cas_match_labels — {"70693-32-2":"exactMatch"} group_key=decanoicacid,mixedesterswithneopentylglycolandoctanoicacid||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['ec_inventory']; cas_sources={'70693-32-2': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-a2d2216533f6546c: {'70693-32-2': 'exactMatch'}
7a2de0bf… cas_match_labels — {"70693-32-2":"exactMatch"} group_key=decanoicacid,mixedesterswithneopentylglycolandoctanoicacid||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['ec_inventory']; cas_sources={'70693-32-2': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-a2d2216533f6546c: {'70693-32-2': 'exactMatch'}
8c436495… cas_match_labels — {"70693-32-2":"exactMatch"} group_key=decanoicacid,mixedesterswithneopentylglycolandoctanoicacid||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['ec_inventory']; cas_sources={'70693-32-2': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-a2d2216533f6546c: {'70693-32-2': 'exactMatch'}
9886b20e… cas_match_labels — {"70693-32-2":"exactMatch"} group_key=decanoicacid,mixedesterswithneopentylglycolandoctanoicacid||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['ec_inventory']; cas_sources={'70693-32-2': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-a2d2216533f6546c: {'70693-32-2': 'exactMatch'}
ad0bfee5… cas_match_labels — {"70693-32-2":"exactMatch"} group_key=decanoicacid,mixedesterswithneopentylglycolandoctanoicacid||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['ec_inventory']; cas_sources={'70693-32-2': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-a2d2216533f6546c: {'70693-32-2': 'exactMatch'}
eb57d473… cas_match_labels — {"70693-32-2":"exactMatch"} group_key=decanoicacid,mixedesterswithneopentylglycolandoctanoicacid||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['ec_inventory']; cas_sources={'70693-32-2': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-a2d2216533f6546c: {'70693-32-2': 'exactMatch'}

Flow Object JSON

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