Oxydiethane-2,1-diyl Dibenzoate
fo-d070726082e060b7
Identity
- Type
- Neutral molecule
- CAS
- 120-55-8
- EC
- 204-407-6
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 55 across every transformer
Structure
Alternative labels
14- 2-[2-(Benzoyloxy)ethoxy]ethyl benzoate
- Benzoflex 2-42
- Benzoflex 2-45
- Benzoflex S 45
- DEDB
- Di-O-benzoyldiethylene glycol
- Diethylene glycol, dibenzoate
- Ethanol, 2,2′-oxybis-, 1,1′-dibenzoate
- Ethanol, 2,2′-oxybis-, dibenzoate
- Flexol 2GB
- K-Flex DE
- Monocizer PB 3
- Monocizer PB 3A
- Velsicol 2-45
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | NXQMCAOPTPLPRL-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C18H18O5/c19-17(15-7-3-1-4-8-15)22-13-11-21-12-14-23-18(20)16-9-5-2-6-10-16/h1-10H,11-14H2 |
| IUPAC name chemrof:IUPAC_name | Oxydiethane-2,1-diyl Dibenzoate |
| Molecular formula chemrof:molecular_formula | C18H18O5 |
| Molecular mass chemrof:molecular_mass | 314.337 |
| Monoisotopic mass chemrof:monoisotopic_mass | 314.115424 |
| SMILES string chemrof:smiles_string | O=C(OCCOCCOC(=O)c1ccccc1)c1ccccc1 |
Known URLs
10Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.
| Resource | URL | Recorded by |
|---|---|---|
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=120-55-8 | enrich_references.consensus_cas_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.004.007 | enrich_references.pubchem_identifier_url |
| chemicalsafety.ilo.org | https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0447 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID0026967 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL2130591 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/YAI66YDY1C | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J46.849E | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=126903 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/8437 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q2450581 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| e39348c1-d8ce-44e3-8d8c-8ecb37432813 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| 34d77b3a-e1eb-4c01-aee0-6d1ad6b060fb | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| ef8a7b96-7922-4700-9265-3049cba54430 | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| 64757c31-96dc-48d1-84e9-d017df5b7ab9 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| e74f1feb-c6f3-4692-8576-89db6f64ab2a | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| 46e5edd2-40d1-4be5-849f-f0cd77cadfd9 | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| 2652293b-6006-4f49-89ed-c9c1f78ba6b6 | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| 0cc760a1-e144-4392-b9f1-8cec36d667b2 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| 2943ab5c-009e-49f2-a0d0-f1650338fcec | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| 444455c6-10d3-4009-88a8-7d78fd942847 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 10ac5224-21d4-44b2-8e9e-d1914a8c92a8 | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| 4075005c-8e0f-4e8d-8cd2-6dbc860a90aa | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| f17bc611-f4a3-4215-a749-64f96ea5cef1 | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
History
Everything that changed this substance (55 changes)
Full record
Flow object JSON
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"http://www.w3.org/2004/02/skos/core#exactMatch": [
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"@id": "https://commonchemistry.cas.org/detail?cas_rn=120-55-8"
}
],
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "cas_numbers"
}
},
"http://semanticscience.org/resource/CHEMINF_000447": {
"@value": [
"204-407-6"
],
"rdfs:seeAlso": [
"https://echa.europa.eu/search-for-chemicals?query=204-407-6"
],
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "ec_numbers"
}
}
},
"origin_qualifier": null,
"parent_flow_object_id": null,
"parent_intervention_id": null,
"@type": [
"https://w3id.org/chemrof/NeutralMolecule"
]
}Something wrong here?
- This substance is published under the wrong name
- This is not that chemical
- This record is two substances, or it is a second copy of one
You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works