3-(heptanoyloxy)-2,2-bis[(heptanoyloxy)methyl]propyl Heptanoate (non-preferred Name)

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3-(heptanoyloxy)-2,2-bis[(heptanoyloxy)methyl]propyl Heptanoate (non-preferred Name)

UUID 47f72c1c-a8cc-414f-9fef-e964a1d31cad

Flow Object ID fo-e1e032696d3ac0a8

Source EF 3.1

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

CAS Numbers 25811-35-2

EC Numbers 247-279-7

prefLabel

Language	Value	Provenance
`en`	`3-(heptanoyloxy)-2,2-bis[(heptanoyloxy)methyl]propyl Heptanoate (non-preferred Name)`

altLabel ⓘ

Language	Value	Provenance
`en`	`Heptanoic acid, 1,1′-[2,2-bis[[(1-oxoheptyl)oxy]methyl]-1,3-propanediyl] ester`
`en`	`Heptanoic acid, 2,2-bis[[(1-oxoheptyl)oxy]methyl]-1,3-propanediyl ester`
`en`	`Heptanoic acid, neopentanetetrayl ester`
`en`	`Pentaerythritol tetra-<em>n</em>-heptanoate`
`en`	`Pentaerythritol tetraenanthate`
`en`	`Pentaerythritol, tetraheptanoate`
`en`	`Pentaerythrityl tetraheptanoate`

References

Shared Properties

Predicate	Value
InChIKey	`LAWLMXPSCYHMNV-UHFFFAOYSA-N, NCGQPNAQUYGWMI-UHFFFAOYSA-N`
InChI	`InChI=1S/C16H20N2.ClH/c1-18(2)13-11-15(14-8-4-3-5-9-14)16-10-6-7-12-17-16;/h3-10,12,15H,11,13H2,1-2H3;1H, InChI=1S/C33H60O8/c1-5-9-13-17-21-29(34)38-25-33(26-39-30(35)22-18-14-10-6-2,27-40-31(36)23-19-15-11-7-3)28-41-32(37)24-20-16-12-8-4/h5-28H2,1-4H3`
IUPAC name	N,N-dimethyl-3-phenyl-3-(2-pyridinyl)-1-propanamine;hydrochloride, N,N-dimethyl-3-phenyl-3-(2-pyridyl)propan-1-amine;hydrochloride, N,N-dimethyl-3-phenyl-3-pyridin-2-yl-propan-1-amine;hydrochloride, N,N-dimethyl-3-phenyl-3-pyridin-2-ylpropan-1-amine;hydrochloride, [3-heptanoyloxy-2,2-bis(heptanoyloxymethyl)propyl] heptanoate, dimethyl-[3-phenyl-3-(2-pyridyl)propyl]amine;hydrochloride, enanthic acid [3-enanthyloxy-2,2-bis(enanthyloxymethyl)propyl] ester, heptanoic acid [3-(1-oxoheptoxy)-2,2-bis(1-oxoheptoxymethyl)propyl] ester
Molecular formula	`C16H21ClN2, C33H60O8`
SMILES	`CCCCCCC(=O)OCC(COC(=O)CCCCCC)(COC(=O)CCCCCC)COC(=O)CCCCCC, CN(C)CCC(C1=CC=CC=C1)C2=CC=CC=N2.Cl`

Source List References

List	Version	Source Flow UUID	Source Flow Name
EF	3.1	`47f72c1c-a8cc-414f-9fef-e964a1d31cad`	3-(heptanoyloxy)-2,2-bis[(heptanoyloxy)methyl]propyl heptanoate (non-preferred name)

Concept Associations

Source List	Source Flow	Source Context	Unit	Match Type	Conversion	Provenance
EF 3.1	3-(heptanoyloxy)-2,2-bis[(heptanoyloxy)methyl]propyl heptanoate (non-preferred name)	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=3-(heptanoyloxy)-2,2-bis[(heptanoyloxy)methyl]propylheptanoate(non-preferredname)\|\|dimension=Environmental > media=Air > indoor=Unknown; cas=25811-35-2; added Common Chemistry CAS names as altLabel: Heptanoic acid, 1,1′-[2,2-bis[[(1-oxoheptyl)oxy]methyl]-1,3-propanediyl] ester, Heptanoic acid, 2,2-bis[[(1-oxoheptyl)oxy]methyl]-1,3-propanediyl ester, Heptanoic acid, neopentanetetrayl ester, Pentaerythritol tetra-<em>n</em>-heptanoate, Pentaerythritol tetraenanthate, Pentaerythritol, tetraheptanoate, Pentaerythrityl tetraheptanoate; object_uuid=fo-e1e032696d3ac0a8
`cas_match_labels`	1	`—`	consensus_match	group_key=3-(heptanoyloxy)-2,2-bis[(heptanoyloxy)methyl]propylheptanoate(non-preferredname)\|\|dimension=Environmental > media=Air > indoor=Unknown; group_sources=['ec_inventory']; cas_sources={'25811-35-2': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-e1e032696d3ac0a8: {'25811-35-2': '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': 'Heptanoic acid, 1,1′-[2,2-bis[[(1-oxoheptyl)oxy]methyl]-1,3-propanediyl] ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:25811-35-2', 'https://commonchemistry.cas.org/detail?cas_rn=25811-35-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Heptanoic acid, 2,2-bis[[(1-oxoheptyl)oxy]methyl]-1,3-propanediyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:25811-35-2', 'https://commonchemistry.cas.org/detail?cas_rn=25811-35-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Heptanoic acid, neopentanetetrayl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:25811-35-2', 'https://commonchemistry.cas.org/detail?cas_rn=25811-35-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Pentaerythritol tetra-<em>n</em>-heptanoate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:25811-35-2', 'https://commonchemistry.cas.org/detail?cas_rn=25811-35-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Pentaerythritol tetraenanthate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:25811-35-2', 'https://commonchemistry.cas.org/detail?cas_rn=25811-35-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Pentaerythritol, tetraheptanoate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:25811-35-2', 'https://commonchemistry.cas.org/detail?cas_rn=25811-35-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Pentaerythrityl tetraheptanoate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:25811-35-2', 'https://commonchemistry.cas.org/detail?cas_rn=25811-35-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}]	group_key=3-(heptanoyloxy)-2,2-bis[(heptanoyloxy)methyl]propylheptanoate(non-preferredname)\|\|dimension=Environmental > media=Air > indoor=Unknown; cas=25811-35-2; added Common Chemistry CAS names as altLabel: Heptanoic acid, 1,1′-[2,2-bis[[(1-oxoheptyl)oxy]methyl]-1,3-propanediyl] ester, Heptanoic acid, 2,2-bis[[(1-oxoheptyl)oxy]methyl]-1,3-propanediyl ester, Heptanoic acid, neopentanetetrayl ester, Pentaerythritol tetra-<em>n</em>-heptanoate, Pentaerythritol tetraenanthate, Pentaerythritol, tetraheptanoate, Pentaerythrityl tetraheptanoate; object_uuid=fo-e1e032696d3ac0a8
`cas_match_labels`	`None`	`{'25811-35-2': 'exactMatch'}`	group_key=3-(heptanoyloxy)-2,2-bis[(heptanoyloxy)methyl]propylheptanoate(non-preferredname)\|\|dimension=Environmental > media=Air > indoor=Unknown; group_sources=['ec_inventory']; cas_sources={'25811-35-2': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-e1e032696d3ac0a8: {'25811-35-2': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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