Bis(4-methylbenzyl) Oxalate
fo-7b98f073dbce6bcb
Identity
- Type
- Neutral molecule
- CAS
- 18241-31-1
- EC
- 406-470-7
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 55 across every transformer
Structure
Alternative labels
9- Benzyl alcohol, p-methyl-, oxalate (2:1)
- Bis(p-methylbenzyl) oxalate
- Di(4-methylbenzyl) oxalate
- Di-p-methylbenzyl oxalate
- Ethanedioic acid, 1,2-bis[(4-methylphenyl)methyl] ester
- Ethanedioic acid, bis[(4-methylphenyl)methyl] ester
- HS 3520R-N
- Oxalic acid di(p-methylbenzyl) ester
- Oxalic acid, bis(p-methylbenzyl) ester
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | FPFZBTUMXCSRLU-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C18H18O4/c1-13-3-7-15(8-4-13)11-21-17(19)18(20)22-12-16-9-5-14(2)6-10-16/h3-10H,11-12H2,1-2H3 |
| IUPAC name chemrof:IUPAC_name | Bis(4-methylbenzyl) Oxalate |
| Molecular formula chemrof:molecular_formula | C18H18O4 |
| Molecular mass chemrof:molecular_mass | 298.338 |
| Monoisotopic mass chemrof:monoisotopic_mass | 298.120509 |
| SMILES string chemrof:smiles_string | Cc1ccc(COC(=O)C(=O)OCc2ccc(C)cc2)cc1 |
Known URLs
6Where 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=18241-31-1 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.100.806 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID8066343 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J261.933D | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/87522 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q72446347 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| e53e1c7a-141a-4e7a-b5e6-4e8eaee07045 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| f035a5b9-5960-44ca-aac6-53cf22894e79 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| 0bd503dd-3e8e-4abe-89f2-1b7b3b8cb05c | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| 462fbc9c-223e-4e4b-9085-50e8d32f5704 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| c03d3fa3-107e-464f-8b42-987878bc58a1 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| cb126bc0-cb5d-4234-bb70-63111b412d5f | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| f65f2185-a5ce-42ee-8c58-be2c065928c8 | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| 8536ac30-2fca-4f8a-baf3-e4dae8e588af | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| 1abea943-1d9d-4346-973e-9f4c69ff32d1 | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| 728053d6-96e9-4147-9931-48bcfb5bc57d | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| c9f9aa7d-6e93-4f1c-ad5d-a37bff479ea1 | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| 3af2b3a2-4e10-4d3a-8ddc-9a80a32ac116 | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| 1e8ced07-6098-416d-b1ae-0d18b5f07460 | 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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}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