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Heptanoic Acid, Ester With 2-ethyl-2-(hydroxymethyl)-1,3-propanediol Pentanoate

Flow Object IDfo-773fb80cdc0d837f
TypeConsensus
prefLabel
Label Language
Heptanoic Acid, Ester With 2-ethyl-2-(hydroxymethyl)-1,3-propanediol Pentanoate en
Alt Labels
Label Language Provenance
Trimethylolpropane heptanoate valerate en —
CAS Numbers67762-64-5
EC Numbers267-029-0
Changes Applied26

Properties

Predicate Value
InChIKey CIPBJDPIFXKOLJ-UHFFFAOYSA-N
InChI InChI=1S/C18H34O5/c1-4-7-9-10-12-17(21)23-15-18(6-3,13-19)14-22-16(20)11-8-5-2/h19H,4-15H2,1-3H3
IUPAC name [2-(hydroxymethyl)-2-(pentanoyloxymethyl)butyl] heptanoate, enanthic acid [2-methylol-2-(valeryloxymethyl)butyl] ester, heptanoic acid [2-(hydroxymethyl)-2-(1-oxopentoxymethyl)butyl] ester
Molecular formula C18H34O5
SMILES CCCCCCC(=O)OCC(CC)(CO)COC(=O)CCCC

References

Linked Elementary Flows

UUID Source Unit Context LCIA Factors Consensus Changes
80225d6f… EF 3.1 kg Environmental → Air → Aircraft cruise height 4 2
91d0da40… EF 3.1 kg Environmental → Air → Ground level → Rural (<1000 people/square mile) 0 2
b080d168… EF 3.1 kg Environmental → Air → Ground level → Urban (>1000 people/square mile) 4 2
6dd9aa52… EF 3.1 kg Environmental → Air → High stack, >150 meters 4 2
0894600f… EF 3.1 kg Environmental → Air → Unknown 4 2
3fccf08c… EF 3.1 kg Environmental → Air → Unknown 4 2
045dbb53… EF 3.1 kg Environmental → Ground → Agricultural 4 2
08d31edc… EF 3.1 kg Environmental → Ground → Unknown 4 2
d7312e7b… EF 3.1 kg Environmental → Water → Ocean 4 2
64ac5d87… EF 3.1 kg Environmental → Water → Surface water 4 2
38e0686c… EF 3.1 kg Environmental → Water → Unknown 4 2
▶

Changes Applied
Elementary Flow Field Old Value New Value Comment
001b0eb1… altLabel — [{"@value":"Trimethylolpropane heptanoate valerate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:67762-64-5","https://commonchemistry.cas.org/detail?cas_rn=67762-64-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=heptanoicacid,esterwith2-ethyl-2-(hydroxymethyl)-1,3-propanediolpentanoate||dimension=Environmental > media=Water > water_body=Unknown; cas=67762-64-5; added Common Chemistry CAS names as altLabel: Trimethylolpropane heptanoate valerate; object_uuid=fo-773fb80cdc0d837f
001b0eb1… cas_match_labels — {"67762-64-5":"exactMatch"} group_key=heptanoicacid,esterwith2-ethyl-2-(hydroxymethyl)-1,3-propanediolpentanoate||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'67762-64-5': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-773fb80cdc0d837f: {'67762-64-5': 'exactMatch'}
045dbb53… altLabel — [{"@value":"Trimethylolpropane heptanoate valerate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:67762-64-5","https://commonchemistry.cas.org/detail?cas_rn=67762-64-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=heptanoicacid,esterwith2-ethyl-2-(hydroxymethyl)-1,3-propanediolpentanoate||dimension=Environmental > media=Water > water_body=Unknown; cas=67762-64-5; added Common Chemistry CAS names as altLabel: Trimethylolpropane heptanoate valerate; object_uuid=fo-773fb80cdc0d837f
045dbb53… cas_match_labels — {"67762-64-5":"exactMatch"} group_key=heptanoicacid,esterwith2-ethyl-2-(hydroxymethyl)-1,3-propanediolpentanoate||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'67762-64-5': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-773fb80cdc0d837f: {'67762-64-5': 'exactMatch'}
0894600f… altLabel — [{"@value":"Trimethylolpropane heptanoate valerate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:67762-64-5","https://commonchemistry.cas.org/detail?cas_rn=67762-64-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=heptanoicacid,esterwith2-ethyl-2-(hydroxymethyl)-1,3-propanediolpentanoate||dimension=Environmental > media=Water > water_body=Unknown; cas=67762-64-5; added Common Chemistry CAS names as altLabel: Trimethylolpropane heptanoate valerate; object_uuid=fo-773fb80cdc0d837f
0894600f… cas_match_labels — {"67762-64-5":"exactMatch"} group_key=heptanoicacid,esterwith2-ethyl-2-(hydroxymethyl)-1,3-propanediolpentanoate||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'67762-64-5': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-773fb80cdc0d837f: {'67762-64-5': 'exactMatch'}
08d31edc… altLabel — [{"@value":"Trimethylolpropane heptanoate valerate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:67762-64-5","https://commonchemistry.cas.org/detail?cas_rn=67762-64-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=heptanoicacid,esterwith2-ethyl-2-(hydroxymethyl)-1,3-propanediolpentanoate||dimension=Environmental > media=Water > water_body=Unknown; cas=67762-64-5; added Common Chemistry CAS names as altLabel: Trimethylolpropane heptanoate valerate; object_uuid=fo-773fb80cdc0d837f
08d31edc… cas_match_labels — {"67762-64-5":"exactMatch"} group_key=heptanoicacid,esterwith2-ethyl-2-(hydroxymethyl)-1,3-propanediolpentanoate||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'67762-64-5': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-773fb80cdc0d837f: {'67762-64-5': 'exactMatch'}
38e0686c… altLabel — [{"@value":"Trimethylolpropane heptanoate valerate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:67762-64-5","https://commonchemistry.cas.org/detail?cas_rn=67762-64-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=heptanoicacid,esterwith2-ethyl-2-(hydroxymethyl)-1,3-propanediolpentanoate||dimension=Environmental > media=Water > water_body=Unknown; cas=67762-64-5; added Common Chemistry CAS names as altLabel: Trimethylolpropane heptanoate valerate; object_uuid=fo-773fb80cdc0d837f
38e0686c… cas_match_labels — {"67762-64-5":"exactMatch"} group_key=heptanoicacid,esterwith2-ethyl-2-(hydroxymethyl)-1,3-propanediolpentanoate||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'67762-64-5': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-773fb80cdc0d837f: {'67762-64-5': 'exactMatch'}
3fccf08c… altLabel — [{"@value":"Trimethylolpropane heptanoate valerate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:67762-64-5","https://commonchemistry.cas.org/detail?cas_rn=67762-64-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=heptanoicacid,esterwith2-ethyl-2-(hydroxymethyl)-1,3-propanediolpentanoate||dimension=Environmental > media=Water > water_body=Unknown; cas=67762-64-5; added Common Chemistry CAS names as altLabel: Trimethylolpropane heptanoate valerate; object_uuid=fo-773fb80cdc0d837f
3fccf08c… cas_match_labels — {"67762-64-5":"exactMatch"} group_key=heptanoicacid,esterwith2-ethyl-2-(hydroxymethyl)-1,3-propanediolpentanoate||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'67762-64-5': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-773fb80cdc0d837f: {'67762-64-5': 'exactMatch'}
64ac5d87… altLabel — [{"@value":"Trimethylolpropane heptanoate valerate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:67762-64-5","https://commonchemistry.cas.org/detail?cas_rn=67762-64-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=heptanoicacid,esterwith2-ethyl-2-(hydroxymethyl)-1,3-propanediolpentanoate||dimension=Environmental > media=Water > water_body=Unknown; cas=67762-64-5; added Common Chemistry CAS names as altLabel: Trimethylolpropane heptanoate valerate; object_uuid=fo-773fb80cdc0d837f
64ac5d87… cas_match_labels — {"67762-64-5":"exactMatch"} group_key=heptanoicacid,esterwith2-ethyl-2-(hydroxymethyl)-1,3-propanediolpentanoate||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'67762-64-5': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-773fb80cdc0d837f: {'67762-64-5': 'exactMatch'}
6dd9aa52… altLabel — [{"@value":"Trimethylolpropane heptanoate valerate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:67762-64-5","https://commonchemistry.cas.org/detail?cas_rn=67762-64-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=heptanoicacid,esterwith2-ethyl-2-(hydroxymethyl)-1,3-propanediolpentanoate||dimension=Environmental > media=Water > water_body=Unknown; cas=67762-64-5; added Common Chemistry CAS names as altLabel: Trimethylolpropane heptanoate valerate; object_uuid=fo-773fb80cdc0d837f
6dd9aa52… cas_match_labels — {"67762-64-5":"exactMatch"} group_key=heptanoicacid,esterwith2-ethyl-2-(hydroxymethyl)-1,3-propanediolpentanoate||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'67762-64-5': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-773fb80cdc0d837f: {'67762-64-5': 'exactMatch'}
80225d6f… altLabel — [{"@value":"Trimethylolpropane heptanoate valerate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:67762-64-5","https://commonchemistry.cas.org/detail?cas_rn=67762-64-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=heptanoicacid,esterwith2-ethyl-2-(hydroxymethyl)-1,3-propanediolpentanoate||dimension=Environmental > media=Water > water_body=Unknown; cas=67762-64-5; added Common Chemistry CAS names as altLabel: Trimethylolpropane heptanoate valerate; object_uuid=fo-773fb80cdc0d837f
80225d6f… cas_match_labels — {"67762-64-5":"exactMatch"} group_key=heptanoicacid,esterwith2-ethyl-2-(hydroxymethyl)-1,3-propanediolpentanoate||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'67762-64-5': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-773fb80cdc0d837f: {'67762-64-5': 'exactMatch'}
91d0da40… altLabel — [{"@value":"Trimethylolpropane heptanoate valerate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:67762-64-5","https://commonchemistry.cas.org/detail?cas_rn=67762-64-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=heptanoicacid,esterwith2-ethyl-2-(hydroxymethyl)-1,3-propanediolpentanoate||dimension=Environmental > media=Water > water_body=Unknown; cas=67762-64-5; added Common Chemistry CAS names as altLabel: Trimethylolpropane heptanoate valerate; object_uuid=fo-773fb80cdc0d837f
91d0da40… cas_match_labels — {"67762-64-5":"exactMatch"} group_key=heptanoicacid,esterwith2-ethyl-2-(hydroxymethyl)-1,3-propanediolpentanoate||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'67762-64-5': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-773fb80cdc0d837f: {'67762-64-5': 'exactMatch'}
b080d168… altLabel — [{"@value":"Trimethylolpropane heptanoate valerate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:67762-64-5","https://commonchemistry.cas.org/detail?cas_rn=67762-64-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=heptanoicacid,esterwith2-ethyl-2-(hydroxymethyl)-1,3-propanediolpentanoate||dimension=Environmental > media=Water > water_body=Unknown; cas=67762-64-5; added Common Chemistry CAS names as altLabel: Trimethylolpropane heptanoate valerate; object_uuid=fo-773fb80cdc0d837f
b080d168… cas_match_labels — {"67762-64-5":"exactMatch"} group_key=heptanoicacid,esterwith2-ethyl-2-(hydroxymethyl)-1,3-propanediolpentanoate||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'67762-64-5': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-773fb80cdc0d837f: {'67762-64-5': 'exactMatch'}
d7312e7b… altLabel — [{"@value":"Trimethylolpropane heptanoate valerate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:67762-64-5","https://commonchemistry.cas.org/detail?cas_rn=67762-64-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=heptanoicacid,esterwith2-ethyl-2-(hydroxymethyl)-1,3-propanediolpentanoate||dimension=Environmental > media=Water > water_body=Unknown; cas=67762-64-5; added Common Chemistry CAS names as altLabel: Trimethylolpropane heptanoate valerate; object_uuid=fo-773fb80cdc0d837f
d7312e7b… cas_match_labels — {"67762-64-5":"exactMatch"} group_key=heptanoicacid,esterwith2-ethyl-2-(hydroxymethyl)-1,3-propanediolpentanoate||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'67762-64-5': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-773fb80cdc0d837f: {'67762-64-5': 'exactMatch'}
f5116d9c… altLabel — [{"@value":"Trimethylolpropane heptanoate valerate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:67762-64-5","https://commonchemistry.cas.org/detail?cas_rn=67762-64-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=heptanoicacid,esterwith2-ethyl-2-(hydroxymethyl)-1,3-propanediolpentanoate||dimension=Environmental > media=Water > water_body=Unknown; cas=67762-64-5; added Common Chemistry CAS names as altLabel: Trimethylolpropane heptanoate valerate; object_uuid=fo-773fb80cdc0d837f
f5116d9c… cas_match_labels — {"67762-64-5":"exactMatch"} group_key=heptanoicacid,esterwith2-ethyl-2-(hydroxymethyl)-1,3-propanediolpentanoate||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'67762-64-5': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-773fb80cdc0d837f: {'67762-64-5': 'exactMatch'}

Flow Object JSON

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  "properties": {
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      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
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      "rdfs:label": "Molecular formula",
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    "https://w3id.org/chemrof/smiles_string": {
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      "@value": [
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}