← Back to consensus flow objects
Octadecanoic Acid, Branched And Linear
| Flow Object ID | fo-a9c3ccdbc8a9069f | ||||
|---|---|---|---|---|---|
| Type | Consensus | ||||
| prefLabel |
|
||||
| CAS Numbers | 68201-37-6 | ||||
| EC Numbers | 269-214-1 | ||||
| Changes Applied | 13 |
Properties
| Predicate | Value |
|---|---|
| InChIKey |
DYGIZCLLGGJWQJ-UHFFFAOYSA-N, XXHDVJVLFBXOGN-UHFFFAOYSA-N
|
| InChI |
InChI=1S/C18H36O2/c1-4-6-13-17(5-2)14-9-7-8-11-16(3)12-10-15-18(19)20/h16-17H,4-15H2,1-3H3,(H,19,20), InChI=1S/C22H16N6O2/c29-28(30)22-15-14-21(19-8-4-5-9-20(19)22)26-27-25-18-12-10-17(11-13-18)24-23-16-6-2-1-3-7-16/h1-15H,(H,25,26)
|
| IUPAC name |
(4-nitro-1-naphthyl)azo-(4-phenylazophenyl)amine, 11-ethyl-5-methyl-pentadecanoic acid, 11-ethyl-5-methylpentadecanoic acid, N-[(4-nitro-1-naphthalenyl)azo]-4-phenyldiazenylaniline, N-[(4-nitro-1-naphthyl)azo]-4-phenylazo-aniline, N-[(4-nitronaphthalen-1-yl)diazenyl]-4-phenyldiazenyl-aniline, N-[(4-nitronaphthalen-1-yl)diazenyl]-4-phenyldiazenylaniline
|
| Molecular formula |
C18H36O2, C22H16N6O2
|
| SMILES |
C1=CC=C(C=C1)N=NC2=CC=C(C=C2)NN=NC3=CC=C(C4=CC=CC=C43)[N+](=O)[O-], CCCCC(CC)CCCCCC(C)CCCC(=O)O
|
References
- http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J8.432H
- https://commonchemistry.cas.org/detail?cas_rn=6708-61-8
- https://commonchemistry.cas.org/detail?cas_rn=68201-37-6
- https://comptox.epa.gov/dashboard/DTXSID1064457
- https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=66472
- https://gsrs.ncats.nih.gov/ginas/app/beta/substances/XEO4Q15KZI
- https://pubchem.ncbi.nlm.nih.gov/compound/109214
- https://pubchem.ncbi.nlm.nih.gov/compound/81202
- https://www.wikidata.org/wiki/Q126609921
- https://www.wikidata.org/wiki/Q81991565
Linked Elementary Flows
| UUID | Source | Unit | Context | LCIA Factors | Consensus Changes |
|---|---|---|---|---|---|
28abebc5… |
EF 3.1 | kg | Environmental → Air → Aircraft cruise height | 4 | 1 |
6ee81393… |
EF 3.1 | kg | Environmental → Air → Ground level → Rural (<1000 people/square mile) | 0 | 1 |
ed27bc7e… |
EF 3.1 | kg | Environmental → Air → Ground level → Urban (>1000 people/square mile) | 4 | 1 |
1b15445e… |
EF 3.1 | kg | Environmental → Air → High stack, >150 meters | 4 | 1 |
b1e4ca81… |
EF 3.1 | kg | Environmental → Air → Unknown | 4 | 1 |
bf950e31… |
EF 3.1 | kg | Environmental → Air → Unknown | 4 | 1 |
3346d97c… |
EF 3.1 | kg | Environmental → Ground → Agricultural | 4 | 1 |
8f5d4269… |
EF 3.1 | kg | Environmental → Ground → Unknown | 4 | 1 |
ec22bbf8… |
EF 3.1 | kg | Environmental → Water → Ocean | 4 | 1 |
8d304a81… |
EF 3.1 | kg | Environmental → Water → Surface water | 4 | 1 |
9904fb5b… |
EF 3.1 | kg | Environmental → Water → Unknown | 4 | 1 |
▶
Changes Applied
| Elementary Flow | Field | Old Value | New Value | Comment |
|---|---|---|---|---|
1b15445e… |
cas_match_labels |
— |
{"68201-37-6":"exactMatch"} |
group_key=octadecanoicacid,branchedandlinear||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['ec_inventory']; cas_sources={'68201-37-6': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-a9c3ccdbc8a9069f: {'68201-37-6': 'exactMatch'} |
28abebc5… |
cas_match_labels |
— |
{"68201-37-6":"exactMatch"} |
group_key=octadecanoicacid,branchedandlinear||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['ec_inventory']; cas_sources={'68201-37-6': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-a9c3ccdbc8a9069f: {'68201-37-6': 'exactMatch'} |
3346d97c… |
cas_match_labels |
— |
{"68201-37-6":"exactMatch"} |
group_key=octadecanoicacid,branchedandlinear||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['ec_inventory']; cas_sources={'68201-37-6': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-a9c3ccdbc8a9069f: {'68201-37-6': 'exactMatch'} |
6ee81393… |
cas_match_labels |
— |
{"68201-37-6":"exactMatch"} |
group_key=octadecanoicacid,branchedandlinear||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['ec_inventory']; cas_sources={'68201-37-6': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-a9c3ccdbc8a9069f: {'68201-37-6': 'exactMatch'} |
8d304a81… |
cas_match_labels |
— |
{"68201-37-6":"exactMatch"} |
group_key=octadecanoicacid,branchedandlinear||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['ec_inventory']; cas_sources={'68201-37-6': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-a9c3ccdbc8a9069f: {'68201-37-6': 'exactMatch'} |
8f5d4269… |
cas_match_labels |
— |
{"68201-37-6":"exactMatch"} |
group_key=octadecanoicacid,branchedandlinear||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['ec_inventory']; cas_sources={'68201-37-6': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-a9c3ccdbc8a9069f: {'68201-37-6': 'exactMatch'} |
97a16554… |
cas_match_labels |
— |
{"68201-37-6":"exactMatch"} |
group_key=octadecanoicacid,branchedandlinear||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['ec_inventory']; cas_sources={'68201-37-6': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-a9c3ccdbc8a9069f: {'68201-37-6': 'exactMatch'} |
9904fb5b… |
cas_match_labels |
— |
{"68201-37-6":"exactMatch"} |
group_key=octadecanoicacid,branchedandlinear||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['ec_inventory']; cas_sources={'68201-37-6': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-a9c3ccdbc8a9069f: {'68201-37-6': 'exactMatch'} |
a3b1c0c3… |
cas_match_labels |
— |
{"68201-37-6":"exactMatch"} |
group_key=octadecanoicacid,branchedandlinear||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['ec_inventory']; cas_sources={'68201-37-6': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-a9c3ccdbc8a9069f: {'68201-37-6': 'exactMatch'} |
b1e4ca81… |
cas_match_labels |
— |
{"68201-37-6":"exactMatch"} |
group_key=octadecanoicacid,branchedandlinear||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['ec_inventory']; cas_sources={'68201-37-6': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-a9c3ccdbc8a9069f: {'68201-37-6': 'exactMatch'} |
bf950e31… |
cas_match_labels |
— |
{"68201-37-6":"exactMatch"} |
group_key=octadecanoicacid,branchedandlinear||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['ec_inventory']; cas_sources={'68201-37-6': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-a9c3ccdbc8a9069f: {'68201-37-6': 'exactMatch'} |
ec22bbf8… |
cas_match_labels |
— |
{"68201-37-6":"exactMatch"} |
group_key=octadecanoicacid,branchedandlinear||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['ec_inventory']; cas_sources={'68201-37-6': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-a9c3ccdbc8a9069f: {'68201-37-6': 'exactMatch'} |
ed27bc7e… |
cas_match_labels |
— |
{"68201-37-6":"exactMatch"} |
group_key=octadecanoicacid,branchedandlinear||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['ec_inventory']; cas_sources={'68201-37-6': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-a9c3ccdbc8a9069f: {'68201-37-6': 'exactMatch'} |
Flow Object JSON
{
"flow_object_id": "fo-a9c3ccdbc8a9069f",
"prefLabel": [
{
"@value": "Octadecanoic Acid, Branched And Linear",
"@language": "en",
"@lang": "en",
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],
"altLabel": [],
"properties": {
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"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C18H36O2",
"C22H16N6O2"
],
"rdfs:label": "Molecular formula",
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},
"https://w3id.org/chemrof/inchi2d_key_string": {
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"@value": [
"DYGIZCLLGGJWQJ-UHFFFAOYSA-N",
"XXHDVJVLFBXOGN-UHFFFAOYSA-N"
],
"rdfs:label": "InChIKey",
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},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"@value": [
"C1=CC=C(C=C1)N=NC2=CC=C(C=C2)NN=NC3=CC=C(C4=CC=CC=C43)[N+](=O)[O-]",
"CCCCC(CC)CCCCCC(C)CCCC(=O)O"
],
"rdfs:label": "SMILES",
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},
"https://w3id.org/chemrof/inchi2d_string": {
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"InChI=1S/C18H36O2/c1-4-6-13-17(5-2)14-9-7-8-11-16(3)12-10-15-18(19)20/h16-17H,4-15H2,1-3H3,(H,19,20)",
"InChI=1S/C22H16N6O2/c29-28(30)22-15-14-21(19-8-4-5-9-20(19)22)26-27-25-18-12-10-17(11-13-18)24-23-16-6-2-1-3-7-16/h1-15H,(H,25,26)"
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}
},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"@value": [
"(4-nitro-1-naphthyl)azo-(4-phenylazophenyl)amine",
"11-ethyl-5-methyl-pentadecanoic acid",
"11-ethyl-5-methylpentadecanoic acid",
"N-[(4-nitro-1-naphthalenyl)azo]-4-phenyldiazenylaniline",
"N-[(4-nitro-1-naphthyl)azo]-4-phenylazo-aniline",
"N-[(4-nitronaphthalen-1-yl)diazenyl]-4-phenyldiazenyl-aniline",
"N-[(4-nitronaphthalen-1-yl)diazenyl]-4-phenyldiazenylaniline"
],
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