← Back to consensus flow objects
Isoheptane
| Flow Object ID | fo-332e6e90dba760ce | ||||
|---|---|---|---|---|---|
| Type | Consensus | ||||
| prefLabel |
|
||||
| CAS Numbers | 31394-54-4 | ||||
| EC Numbers | 250-610-8 | ||||
| Changes Applied | 13 |
Properties
| Predicate | Value |
|---|---|
| InChIKey |
GXDHCNNESPLIKD-UHFFFAOYSA-N
|
| InChI |
InChI=1S/C7H16/c1-4-5-6-7(2)3/h7H,4-6H2,1-3H3
|
| IUPAC name |
2-methylhexane
|
| Molecular formula |
C7H16
|
| SMILES |
CCCCC(C)C
|
References
- http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J43.564C
- https://chem.echa.europa.eu/100.008.847
- https://chem.echa.europa.eu/100.045.994
- https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0658
- https://commonchemistry.cas.org/detail?cas_rn=31394-54-4
- https://commonchemistry.cas.org/detail?cas_rn=591-76-4
- https://comptox.epa.gov/dashboard/DTXSID5052256
- https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=24840
- https://en.wikipedia.org/wiki/2-Methylhexane
- https://gsrs.ncats.nih.gov/ginas/app/beta/substances/YI4679P2SP
- https://hmdb.ca/metabolites/HMDB0245230
- https://pubchem.ncbi.nlm.nih.gov/compound/11582
- https://pubchem.ncbi.nlm.nih.gov/erg/#1206
- https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:230545
- https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1797267
- https://www.wikidata.org/wiki/Q183300
Linked Elementary Flows
| UUID | Source | Unit | Context | LCIA Factors | Consensus Changes |
|---|---|---|---|---|---|
6cc21303… |
EF 3.1 | kg | Environmental → Air → Aircraft cruise height | 4 | 1 |
0dcaff89… |
EF 3.1 | kg | Environmental → Air → Ground level → Rural (<1000 people/square mile) | 0 | 1 |
f38e1a10… |
EF 3.1 | kg | Environmental → Air → Ground level → Urban (>1000 people/square mile) | 4 | 1 |
b2028135… |
EF 3.1 | kg | Environmental → Air → High stack, >150 meters | 4 | 1 |
8134256b… |
EF 3.1 | kg | Environmental → Air → Unknown | 4 | 1 |
9c25e80d… |
EF 3.1 | kg | Environmental → Air → Unknown | 4 | 1 |
b7f73cba… |
EF 3.1 | kg | Environmental → Ground → Agricultural | 4 | 1 |
11ce1d8b… |
EF 3.1 | kg | Environmental → Ground → Unknown | 4 | 1 |
6fb319fd… |
EF 3.1 | kg | Environmental → Water → Ocean | 4 | 1 |
bf1a2b57… |
EF 3.1 | kg | Environmental → Water → Surface water | 4 | 1 |
7bda0e3b… |
EF 3.1 | kg | Environmental → Water → Unknown | 4 | 1 |
▶
Changes Applied
| Elementary Flow | Field | Old Value | New Value | Comment |
|---|---|---|---|---|
0dcaff89… |
cas_match_labels |
— |
{"31394-54-4":"exactMatch"} |
group_key=isoheptane||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'31394-54-4': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-332e6e90dba760ce: {'31394-54-4': 'exactMatch'} |
11ce1d8b… |
cas_match_labels |
— |
{"31394-54-4":"exactMatch"} |
group_key=isoheptane||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'31394-54-4': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-332e6e90dba760ce: {'31394-54-4': 'exactMatch'} |
6cc21303… |
cas_match_labels |
— |
{"31394-54-4":"exactMatch"} |
group_key=isoheptane||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'31394-54-4': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-332e6e90dba760ce: {'31394-54-4': 'exactMatch'} |
6fb319fd… |
cas_match_labels |
— |
{"31394-54-4":"exactMatch"} |
group_key=isoheptane||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'31394-54-4': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-332e6e90dba760ce: {'31394-54-4': 'exactMatch'} |
7bda0e3b… |
cas_match_labels |
— |
{"31394-54-4":"exactMatch"} |
group_key=isoheptane||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'31394-54-4': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-332e6e90dba760ce: {'31394-54-4': 'exactMatch'} |
8134256b… |
cas_match_labels |
— |
{"31394-54-4":"exactMatch"} |
group_key=isoheptane||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'31394-54-4': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-332e6e90dba760ce: {'31394-54-4': 'exactMatch'} |
9c25e80d… |
cas_match_labels |
— |
{"31394-54-4":"exactMatch"} |
group_key=isoheptane||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'31394-54-4': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-332e6e90dba760ce: {'31394-54-4': 'exactMatch'} |
a9a8d607… |
cas_match_labels |
— |
{"31394-54-4":"exactMatch"} |
group_key=isoheptane||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'31394-54-4': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-332e6e90dba760ce: {'31394-54-4': 'exactMatch'} |
b2028135… |
cas_match_labels |
— |
{"31394-54-4":"exactMatch"} |
group_key=isoheptane||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'31394-54-4': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-332e6e90dba760ce: {'31394-54-4': 'exactMatch'} |
b7f73cba… |
cas_match_labels |
— |
{"31394-54-4":"exactMatch"} |
group_key=isoheptane||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'31394-54-4': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-332e6e90dba760ce: {'31394-54-4': 'exactMatch'} |
bf1a2b57… |
cas_match_labels |
— |
{"31394-54-4":"exactMatch"} |
group_key=isoheptane||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'31394-54-4': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-332e6e90dba760ce: {'31394-54-4': 'exactMatch'} |
d88d2d5f… |
cas_match_labels |
— |
{"31394-54-4":"exactMatch"} |
group_key=isoheptane||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'31394-54-4': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-332e6e90dba760ce: {'31394-54-4': 'exactMatch'} |
f38e1a10… |
cas_match_labels |
— |
{"31394-54-4":"exactMatch"} |
group_key=isoheptane||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'31394-54-4': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-332e6e90dba760ce: {'31394-54-4': 'exactMatch'} |
Flow Object JSON
{
"flow_object_id": "fo-332e6e90dba760ce",
"prefLabel": [
{
"@value": "Isoheptane",
"@language": "en",
"@lang": "en",
"provenance": {
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"prov:wasAttributedTo": "consensus-flow-list",
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"EF 3.1"
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"prov:wasDerivedFrom": "prefLabel"
}
}
],
"altLabel": [],
"properties": {
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"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C7H16"
],
"rdfs:label": "Molecular formula",
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"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
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},
"https://w3id.org/chemrof/inchi2d_key_string": {
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"@value": [
"GXDHCNNESPLIKD-UHFFFAOYSA-N"
],
"rdfs:label": "InChIKey",
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},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"@value": [
"CCCCC(C)C"
],
"rdfs:label": "SMILES",
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},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"@value": [
"InChI=1S/C7H16/c1-4-5-6-7(2)3/h7H,4-6H2,1-3H3"
],
"rdfs:label": "InChI",
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}
},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"@value": [
"2-methylhexane"
],
"rdfs:label": "IUPAC name",
"provenance": {
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}
}
},
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},
{
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"seed_uuid": "0dcaff89-ef85-430a-9d25-e1ac217c1aa9",
"seed_source": "EF 3.1"
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"origin_qualifier": null,
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