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1,2-Benzenedicarboxylic Acid, Mixed Decyl And Lauryl And Octyl Diesters
| Flow Object ID | fo-7dbbee1cc1d012d0 | ||||
|---|---|---|---|---|---|
| Type | Consensus | ||||
| prefLabel |
|
||||
| CAS Numbers | 70693-30-0 | ||||
| EC Numbers | 274-763-5 | ||||
| Changes Applied | 13 |
Properties
| Predicate | Value |
|---|---|
| InChIKey |
UFKQRFKJIPICMZ-UHFFFAOYSA-N, YYBCTDYKTPEGBN-UHFFFAOYSA-N
|
| InChI |
InChI=1S/C12H24O2.C10H20O2.C8H6O4.C8H16O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;1-2-3-4-5-6-7-8-9-10(11)12;9-7(10)5-3-1-2-4-6(5)8(11)12;1-2-3-4-5-6-7-8(9)10/h2-11H2,1H3,(H,13,14);2-9H2,1H3,(H,11,12);1-4H,(H,9,10)(H,11,12);2-7H2,1H3,(H,9,10), InChI=1S/C16H17NO2/c1-12(13-4-8-15(18-2)9-5-13)17-14-6-10-16(19-3)11-7-14/h4-11H,1-3H3
|
| IUPAC name |
(4-methoxyphenyl)-[1-(4-methoxyphenyl)ethylidene]amine, N,1-bis(4-methoxyphenyl)ethanimine, capric acid;caprylic acid;lauric acid;phthalic acid, decanoic acid;dodecanoic acid;octanoic acid;phthalic acid
|
| Molecular formula |
C16H17NO2, C38H66O10
|
| SMILES |
CC(=NC1=CC=C(C=C1)OC)C2=CC=C(C=C2)OC, CCCCCCCCCCCC(=O)O.CCCCCCCCCC(=O)O.CCCCCCCC(=O)O.C1=CC=C(C(=C1)C(=O)O)C(=O)O
|
References
- http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.100.598C
- https://commonchemistry.cas.org/detail?cas_rn=70693-30-0
- https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=30992
- https://pubchem.ncbi.nlm.nih.gov/compound/116801
- https://pubchem.ncbi.nlm.nih.gov/compound/232964
Linked Elementary Flows
| UUID | Source | Unit | Context | LCIA Factors | Consensus Changes |
|---|---|---|---|---|---|
14318c49… |
EF 3.1 | kg | Environmental → Air → Aircraft cruise height | 2 | 1 |
009d41d5… |
EF 3.1 | kg | Environmental → Air → Ground level → Rural (<1000 people/square mile) | 0 | 1 |
bf0fb84c… |
EF 3.1 | kg | Environmental → Air → Ground level → Urban (>1000 people/square mile) | 2 | 1 |
5fe7c559… |
EF 3.1 | kg | Environmental → Air → High stack, >150 meters | 2 | 1 |
611eeddf… |
EF 3.1 | kg | Environmental → Air → Unknown | 2 | 1 |
b4ec9feb… |
EF 3.1 | kg | Environmental → Air → Unknown | 2 | 1 |
f6e6b2e9… |
EF 3.1 | kg | Environmental → Ground → Agricultural | 2 | 1 |
646636a8… |
EF 3.1 | kg | Environmental → Ground → Unknown | 2 | 1 |
bdbb58e1… |
EF 3.1 | kg | Environmental → Water → Ocean | 2 | 1 |
a38d4844… |
EF 3.1 | kg | Environmental → Water → Surface water | 2 | 1 |
54948f83… |
EF 3.1 | kg | Environmental → Water → Unknown | 2 | 1 |
▶
Changes Applied
| Elementary Flow | Field | Old Value | New Value | Comment |
|---|---|---|---|---|
009d41d5… |
cas_match_labels |
— |
{"70693-30-0":"exactMatch"} |
group_key=1,2-benzenedicarboxylicacid,mixeddecylandlaurylandoctyldiesters||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['ec_inventory']; cas_sources={'70693-30-0': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-7dbbee1cc1d012d0: {'70693-30-0': 'exactMatch'} |
14318c49… |
cas_match_labels |
— |
{"70693-30-0":"exactMatch"} |
group_key=1,2-benzenedicarboxylicacid,mixeddecylandlaurylandoctyldiesters||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['ec_inventory']; cas_sources={'70693-30-0': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-7dbbee1cc1d012d0: {'70693-30-0': 'exactMatch'} |
54948f83… |
cas_match_labels |
— |
{"70693-30-0":"exactMatch"} |
group_key=1,2-benzenedicarboxylicacid,mixeddecylandlaurylandoctyldiesters||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['ec_inventory']; cas_sources={'70693-30-0': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-7dbbee1cc1d012d0: {'70693-30-0': 'exactMatch'} |
5fe7c559… |
cas_match_labels |
— |
{"70693-30-0":"exactMatch"} |
group_key=1,2-benzenedicarboxylicacid,mixeddecylandlaurylandoctyldiesters||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['ec_inventory']; cas_sources={'70693-30-0': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-7dbbee1cc1d012d0: {'70693-30-0': 'exactMatch'} |
611eeddf… |
cas_match_labels |
— |
{"70693-30-0":"exactMatch"} |
group_key=1,2-benzenedicarboxylicacid,mixeddecylandlaurylandoctyldiesters||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['ec_inventory']; cas_sources={'70693-30-0': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-7dbbee1cc1d012d0: {'70693-30-0': 'exactMatch'} |
63af5e80… |
cas_match_labels |
— |
{"70693-30-0":"exactMatch"} |
group_key=1,2-benzenedicarboxylicacid,mixeddecylandlaurylandoctyldiesters||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['ec_inventory']; cas_sources={'70693-30-0': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-7dbbee1cc1d012d0: {'70693-30-0': 'exactMatch'} |
646636a8… |
cas_match_labels |
— |
{"70693-30-0":"exactMatch"} |
group_key=1,2-benzenedicarboxylicacid,mixeddecylandlaurylandoctyldiesters||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['ec_inventory']; cas_sources={'70693-30-0': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-7dbbee1cc1d012d0: {'70693-30-0': 'exactMatch'} |
7f849f30… |
cas_match_labels |
— |
{"70693-30-0":"exactMatch"} |
group_key=1,2-benzenedicarboxylicacid,mixeddecylandlaurylandoctyldiesters||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['ec_inventory']; cas_sources={'70693-30-0': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-7dbbee1cc1d012d0: {'70693-30-0': 'exactMatch'} |
a38d4844… |
cas_match_labels |
— |
{"70693-30-0":"exactMatch"} |
group_key=1,2-benzenedicarboxylicacid,mixeddecylandlaurylandoctyldiesters||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['ec_inventory']; cas_sources={'70693-30-0': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-7dbbee1cc1d012d0: {'70693-30-0': 'exactMatch'} |
b4ec9feb… |
cas_match_labels |
— |
{"70693-30-0":"exactMatch"} |
group_key=1,2-benzenedicarboxylicacid,mixeddecylandlaurylandoctyldiesters||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['ec_inventory']; cas_sources={'70693-30-0': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-7dbbee1cc1d012d0: {'70693-30-0': 'exactMatch'} |
bdbb58e1… |
cas_match_labels |
— |
{"70693-30-0":"exactMatch"} |
group_key=1,2-benzenedicarboxylicacid,mixeddecylandlaurylandoctyldiesters||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['ec_inventory']; cas_sources={'70693-30-0': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-7dbbee1cc1d012d0: {'70693-30-0': 'exactMatch'} |
bf0fb84c… |
cas_match_labels |
— |
{"70693-30-0":"exactMatch"} |
group_key=1,2-benzenedicarboxylicacid,mixeddecylandlaurylandoctyldiesters||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['ec_inventory']; cas_sources={'70693-30-0': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-7dbbee1cc1d012d0: {'70693-30-0': 'exactMatch'} |
f6e6b2e9… |
cas_match_labels |
— |
{"70693-30-0":"exactMatch"} |
group_key=1,2-benzenedicarboxylicacid,mixeddecylandlaurylandoctyldiesters||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['ec_inventory']; cas_sources={'70693-30-0': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-7dbbee1cc1d012d0: {'70693-30-0': 'exactMatch'} |
Flow Object JSON
{
"flow_object_id": "fo-7dbbee1cc1d012d0",
"prefLabel": [
{
"@value": "1,2-Benzenedicarboxylic Acid, Mixed Decyl And Lauryl And Octyl Diesters",
"@language": "en",
"@lang": "en",
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"EF 3.1"
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}
],
"altLabel": [],
"properties": {
"https://w3id.org/chemrof/molecular_formula": {
"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C16H17NO2",
"C38H66O10"
],
"rdfs:label": "Molecular formula",
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},
"https://w3id.org/chemrof/inchi2d_key_string": {
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"UFKQRFKJIPICMZ-UHFFFAOYSA-N",
"YYBCTDYKTPEGBN-UHFFFAOYSA-N"
],
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},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"@value": [
"CC(=NC1=CC=C(C=C1)OC)C2=CC=C(C=C2)OC",
"CCCCCCCCCCCC(=O)O.CCCCCCCCCC(=O)O.CCCCCCCC(=O)O.C1=CC=C(C(=C1)C(=O)O)C(=O)O"
],
"rdfs:label": "SMILES",
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"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
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"InChI=1S/C12H24O2.C10H20O2.C8H6O4.C8H16O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;1-2-3-4-5-6-7-8-9-10(11)12;9-7(10)5-3-1-2-4-6(5)8(11)12;1-2-3-4-5-6-7-8(9)10/h2-11H2,1H3,(H,13,14);2-9H2,1H3,(H,11,12);1-4H,(H,9,10)(H,11,12);2-7H2,1H3,(H,9,10)",
"InChI=1S/C16H17NO2/c1-12(13-4-8-15(18-2)9-5-13)17-14-6-10-16(19-3)11-7-14/h4-11H,1-3H3"
],
"rdfs:label": "InChI",
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},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"@value": [
"(4-methoxyphenyl)-[1-(4-methoxyphenyl)ethylidene]amine",
"N,1-bis(4-methoxyphenyl)ethanimine",
"capric acid;caprylic acid;lauric acid;phthalic acid",
"decanoic acid;dodecanoic acid;octanoic acid;phthalic acid"
],
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"created_from": {
"resolver": "hybrid_name_cas_v1",
"seed_uuid": "009d41d5-8b05-44be-949e-d49924f4839f",
"seed_source": "EF 3.1"
},
"classifications": {
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],
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],
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},
"origin_qualifier": null,
"parent_flow_object_id": null
}