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Methyl Trifluoromethyl Ether
| Flow Object ID | fo-48ed32f86342331a | ||||
|---|---|---|---|---|---|
| Type | Consensus | ||||
| prefLabel |
|
||||
| CAS Numbers | 421-14-7 | ||||
| Changes Applied | 11 |
Properties
| Predicate | Value |
|---|---|
| InChIKey |
JRHMNRMPVRXNOS-UHFFFAOYSA-N, PKVIIPGIGKYQFI-UHFFFAOYSA-N
|
| InChI |
InChI=1S/C14H22O2/c1-5-11(3)13-9-7-8-10-14(13,6-2)16-12(4)15/h2,11,13H,5,7-10H2,1,3-4H3, InChI=1S/C2H3F3O/c1-6-2(3,4)5/h1H3
|
| IUPAC name |
(1-ethynyl-2-sec-butyl-cyclohexyl) acetate, (2-butan-2-yl-1-ethynyl-cyclohexyl) ethanoate, (2-butan-2-yl-1-ethynylcyclohexyl) acetate, acetic acid (1-ethynyl-2-sec-butyl-cyclohexyl) ester, acetic acid (2-butan-2-yl-1-ethynylcyclohexyl) ester, trifluoro(methoxy)methane, tris(fluoranyl)-methoxy-methane
|
| Molecular formula |
C14H22O2, C2H3F3O
|
| SMILES |
CCC(C)C1CCCCC1(C#C)OC(=O)C, COC(F)(F)F
|
References
- http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J260.752B
- http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J665.420G
- https://chem.echa.europa.eu/100.048.510
- https://commonchemistry.cas.org/detail?cas_rn=421-14-7
- https://comptox.epa.gov/dashboard/DTXSID00865853
- https://comptox.epa.gov/dashboard/DTXSID5073903
- https://pubchem.ncbi.nlm.nih.gov/compound/161936
- https://pubchem.ncbi.nlm.nih.gov/compound/73947
- https://www.wikidata.org/wiki/Q66084479
- https://www.wikidata.org/wiki/Q82854688
Linked Elementary Flows
| UUID | Source | Unit | Context | LCIA Factors | Consensus Changes |
|---|---|---|---|---|---|
6ad38d57… |
EF 3.1 | kg | Environmental → Air → Ground level → Rural (<1000 people/square mile) | 0 | 1 |
341eab87… |
EF 3.1 | kg | Environmental → Air → Ground level → Urban (>1000 people/square mile) | 0 | 1 |
bf80615e… |
EF 3.1 | kg | Environmental → Air → High stack, >150 meters | 0 | 1 |
5a24f510… |
EF 3.1 | kg | Environmental → Air → Unknown | 0 | 1 |
6d06f38b… |
EF 3.1 | kg | Environmental → Ground → Agricultural | 0 | 1 |
042139ee… |
EF 3.1 | kg | Environmental → Ground → Unknown | 0 | 1 |
a8a362fd… |
EF 3.1 | kg | Environmental → Water → Ocean | 0 | 1 |
348e5b41… |
EF 3.1 | kg | Environmental → Water → Surface water | 0 | 1 |
4f47060c… |
EF 3.1 | kg | Environmental → Water → Unknown | 0 | 1 |
▶
Changes Applied
| Elementary Flow | Field | Old Value | New Value | Comment |
|---|---|---|---|---|
042139ee… |
cas_match_labels |
— |
{"421-14-7":"exactMatch"} |
group_key=methyltrifluoromethylether||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['pubchem']; cas_sources={'421-14-7': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-48ed32f86342331a: {'421-14-7': 'exactMatch'} |
341eab87… |
cas_match_labels |
— |
{"421-14-7":"exactMatch"} |
group_key=methyltrifluoromethylether||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['pubchem']; cas_sources={'421-14-7': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-48ed32f86342331a: {'421-14-7': 'exactMatch'} |
348e5b41… |
cas_match_labels |
— |
{"421-14-7":"exactMatch"} |
group_key=methyltrifluoromethylether||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['pubchem']; cas_sources={'421-14-7': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-48ed32f86342331a: {'421-14-7': 'exactMatch'} |
4f47060c… |
cas_match_labels |
— |
{"421-14-7":"exactMatch"} |
group_key=methyltrifluoromethylether||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['pubchem']; cas_sources={'421-14-7': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-48ed32f86342331a: {'421-14-7': 'exactMatch'} |
5a24f510… |
cas_match_labels |
— |
{"421-14-7":"exactMatch"} |
group_key=methyltrifluoromethylether||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['pubchem']; cas_sources={'421-14-7': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-48ed32f86342331a: {'421-14-7': 'exactMatch'} |
6ad38d57… |
cas_match_labels |
— |
{"421-14-7":"exactMatch"} |
group_key=methyltrifluoromethylether||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['pubchem']; cas_sources={'421-14-7': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-48ed32f86342331a: {'421-14-7': 'exactMatch'} |
6d06f38b… |
cas_match_labels |
— |
{"421-14-7":"exactMatch"} |
group_key=methyltrifluoromethylether||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['pubchem']; cas_sources={'421-14-7': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-48ed32f86342331a: {'421-14-7': 'exactMatch'} |
6f0b617c… |
cas_match_labels |
— |
{"421-14-7":"exactMatch"} |
group_key=methyltrifluoromethylether||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['pubchem']; cas_sources={'421-14-7': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-48ed32f86342331a: {'421-14-7': 'exactMatch'} |
a8a362fd… |
cas_match_labels |
— |
{"421-14-7":"exactMatch"} |
group_key=methyltrifluoromethylether||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['pubchem']; cas_sources={'421-14-7': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-48ed32f86342331a: {'421-14-7': 'exactMatch'} |
bf80615e… |
cas_match_labels |
— |
{"421-14-7":"exactMatch"} |
group_key=methyltrifluoromethylether||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['pubchem']; cas_sources={'421-14-7': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-48ed32f86342331a: {'421-14-7': 'exactMatch'} |
c0e525ea… |
cas_match_labels |
— |
{"421-14-7":"exactMatch"} |
group_key=methyltrifluoromethylether||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['pubchem']; cas_sources={'421-14-7': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-48ed32f86342331a: {'421-14-7': 'exactMatch'} |
Flow Object JSON
{
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"@language": "en",
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"altLabel": [],
"properties": {
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"C14H22O2",
"C2H3F3O"
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"CCC(C)C1CCCCC1(C#C)OC(=O)C",
"COC(F)(F)F"
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"rdfs:label": "SMILES",
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"https://w3id.org/chemrof/inchi2d_string": {
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"InChI=1S/C2H3F3O/c1-6-2(3,4)5/h1H3"
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},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"@value": [
"(1-ethynyl-2-sec-butyl-cyclohexyl) acetate",
"(2-butan-2-yl-1-ethynyl-cyclohexyl) ethanoate",
"(2-butan-2-yl-1-ethynylcyclohexyl) acetate",
"acetic acid (1-ethynyl-2-sec-butyl-cyclohexyl) ester",
"acetic acid (2-butan-2-yl-1-ethynylcyclohexyl) ester",
"trifluoro(methoxy)methane",
"tris(fluoranyl)-methoxy-methane"
],
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"seed_uuid": "042139ee-957c-4b70-89f8-01bab82f3778",
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