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2,2,3,3,3-Pentafluoropropyl Methyl Ether
| Flow Object ID | fo-9a2e409c8256ba30 | ||||
|---|---|---|---|---|---|
| Type | Consensus | ||||
| prefLabel |
|
||||
| CAS Numbers | 378-16-5 | ||||
| Changes Applied | 11 |
Properties
| Predicate | Value |
|---|---|
| InChIKey |
NOPJRYAFUXTDLX-UHFFFAOYSA-N, ZYAMKYAPIQPWQR-UHFFFAOYSA-N
|
| InChI |
InChI=1S/C4H3F7O/c1-12-4(10,11)2(5,6)3(7,8)9/h1H3, InChI=1S/C4H5F5O/c1-10-2-3(5,6)4(7,8)9/h2H2,1H3
|
| IUPAC name |
1,1,1,2,2,3,3-heptafluoro-3-methoxy-propane, 1,1,1,2,2,3,3-heptafluoro-3-methoxypropane, 1,1,1,2,2,3,3-heptakis(fluoranyl)-3-methoxy-propane, 1,1,1,2,2-pentafluoro-3-methoxy-propane, 1,1,1,2,2-pentafluoro-3-methoxypropane, 1,1,1,2,2-pentakis(fluoranyl)-3-methoxy-propane
|
| Molecular formula |
C4H3F7O, C4H5F5O
|
| SMILES |
COC(C(C(F)(F)F)(F)F)(F)F, COCC(C(F)(F)F)(F)F
|
References
- http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J106.093G
- http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J641.708F
- https://chem.echa.europa.eu/100.236.049
- https://commonchemistry.cas.org/detail?cas_rn=375-03-1
- https://commonchemistry.cas.org/detail?cas_rn=378-16-5
- https://comptox.epa.gov/dashboard/DTXSID20379765
- https://comptox.epa.gov/dashboard/DTXSID7074909
- https://pubchem.ncbi.nlm.nih.gov/compound/2774943
- https://pubchem.ncbi.nlm.nih.gov/compound/2776015
- https://www.wikidata.org/wiki/Q66084471
- https://www.wikidata.org/wiki/Q66084472
Linked Elementary Flows
| UUID | Source | Unit | Context | LCIA Factors | Consensus Changes |
|---|---|---|---|---|---|
4eead42f… |
EF 3.1 | kg | Environmental → Air → Ground level → Rural (<1000 people/square mile) | 0 | 1 |
ea3de8fe… |
EF 3.1 | kg | Environmental → Air → Ground level → Urban (>1000 people/square mile) | 0 | 1 |
5298c09a… |
EF 3.1 | kg | Environmental → Air → High stack, >150 meters | 0 | 1 |
d4aae984… |
EF 3.1 | kg | Environmental → Air → Unknown | 0 | 1 |
ebb52e91… |
EF 3.1 | kg | Environmental → Ground → Agricultural | 0 | 1 |
2fcd1c99… |
EF 3.1 | kg | Environmental → Ground → Unknown | 0 | 1 |
471c3260… |
EF 3.1 | kg | Environmental → Water → Ocean | 0 | 1 |
0b93e1f4… |
EF 3.1 | kg | Environmental → Water → Surface water | 0 | 1 |
33b8d4aa… |
EF 3.1 | kg | Environmental → Water → Unknown | 0 | 1 |
▶
Changes Applied
| Elementary Flow | Field | Old Value | New Value | Comment |
|---|---|---|---|---|
0b93e1f4… |
cas_match_labels |
— |
{"378-16-5":"exactMatch"} |
group_key=2,2,3,3,3-pentafluoropropylmethylether||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['pubchem']; cas_sources={'378-16-5': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-9a2e409c8256ba30: {'378-16-5': 'exactMatch'} |
2fcd1c99… |
cas_match_labels |
— |
{"378-16-5":"exactMatch"} |
group_key=2,2,3,3,3-pentafluoropropylmethylether||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['pubchem']; cas_sources={'378-16-5': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-9a2e409c8256ba30: {'378-16-5': 'exactMatch'} |
33b8d4aa… |
cas_match_labels |
— |
{"378-16-5":"exactMatch"} |
group_key=2,2,3,3,3-pentafluoropropylmethylether||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['pubchem']; cas_sources={'378-16-5': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-9a2e409c8256ba30: {'378-16-5': 'exactMatch'} |
471c3260… |
cas_match_labels |
— |
{"378-16-5":"exactMatch"} |
group_key=2,2,3,3,3-pentafluoropropylmethylether||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['pubchem']; cas_sources={'378-16-5': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-9a2e409c8256ba30: {'378-16-5': 'exactMatch'} |
4eead42f… |
cas_match_labels |
— |
{"378-16-5":"exactMatch"} |
group_key=2,2,3,3,3-pentafluoropropylmethylether||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['pubchem']; cas_sources={'378-16-5': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-9a2e409c8256ba30: {'378-16-5': 'exactMatch'} |
5298c09a… |
cas_match_labels |
— |
{"378-16-5":"exactMatch"} |
group_key=2,2,3,3,3-pentafluoropropylmethylether||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['pubchem']; cas_sources={'378-16-5': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-9a2e409c8256ba30: {'378-16-5': 'exactMatch'} |
777cc00e… |
cas_match_labels |
— |
{"378-16-5":"exactMatch"} |
group_key=2,2,3,3,3-pentafluoropropylmethylether||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['pubchem']; cas_sources={'378-16-5': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-9a2e409c8256ba30: {'378-16-5': 'exactMatch'} |
d4aae984… |
cas_match_labels |
— |
{"378-16-5":"exactMatch"} |
group_key=2,2,3,3,3-pentafluoropropylmethylether||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['pubchem']; cas_sources={'378-16-5': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-9a2e409c8256ba30: {'378-16-5': 'exactMatch'} |
ea3de8fe… |
cas_match_labels |
— |
{"378-16-5":"exactMatch"} |
group_key=2,2,3,3,3-pentafluoropropylmethylether||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['pubchem']; cas_sources={'378-16-5': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-9a2e409c8256ba30: {'378-16-5': 'exactMatch'} |
ebb52e91… |
cas_match_labels |
— |
{"378-16-5":"exactMatch"} |
group_key=2,2,3,3,3-pentafluoropropylmethylether||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['pubchem']; cas_sources={'378-16-5': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-9a2e409c8256ba30: {'378-16-5': 'exactMatch'} |
fac7c13d… |
cas_match_labels |
— |
{"378-16-5":"exactMatch"} |
group_key=2,2,3,3,3-pentafluoropropylmethylether||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['pubchem']; cas_sources={'378-16-5': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-9a2e409c8256ba30: {'378-16-5': 'exactMatch'} |
Flow Object JSON
{
"flow_object_id": "fo-9a2e409c8256ba30",
"prefLabel": [
{
"@value": "2,2,3,3,3-Pentafluoropropyl Methyl Ether",
"@language": "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": [
"C4H3F7O",
"C4H5F5O"
],
"rdfs:label": "Molecular formula",
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},
"https://w3id.org/chemrof/inchi2d_key_string": {
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"@value": [
"NOPJRYAFUXTDLX-UHFFFAOYSA-N",
"ZYAMKYAPIQPWQR-UHFFFAOYSA-N"
],
"rdfs:label": "InChIKey",
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},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"@value": [
"COC(C(C(F)(F)F)(F)F)(F)F",
"COCC(C(F)(F)F)(F)F"
],
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"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"@value": [
"InChI=1S/C4H3F7O/c1-12-4(10,11)2(5,6)3(7,8)9/h1H3",
"InChI=1S/C4H5F5O/c1-10-2-3(5,6)4(7,8)9/h2H2,1H3"
],
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},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"@value": [
"1,1,1,2,2,3,3-heptafluoro-3-methoxy-propane",
"1,1,1,2,2,3,3-heptafluoro-3-methoxypropane",
"1,1,1,2,2,3,3-heptakis(fluoranyl)-3-methoxy-propane",
"1,1,1,2,2-pentafluoro-3-methoxy-propane",
"1,1,1,2,2-pentafluoro-3-methoxypropane",
"1,1,1,2,2-pentakis(fluoranyl)-3-methoxy-propane"
],
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