Dimethyl Naphthalene-2,6-dicarboxylate
fo-ecfd0d5d1bd4cc32
Identity
- Type
- Neutral molecule
- CAS
- 840-65-3
- EC
- 212-661-4
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 55 across every transformer
Structure
Alternative labels
9- 2,6-Bis(methoxycarbonyl)naphthalene
- 2,6-Dicarbomethoxynaphthalene
- 2,6-Dimethyl 2,6-naphthalenedicarboxylate
- 2,6-Dimethyl naphthalene-2,6-dicarboxylate
- 2,6-Naphthalenedicarboxylic acid, 2,6-dimethyl ester
- 2,6-Naphthalenedicarboxylic acid, dimethyl ester
- 2,6-Naphthalic acid dimethyl ester
- Dimethyl 2,6-naphthalate
- Dimethyl 2,6-naphthalenedicarboxylate
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | GYUVMLBYMPKZAZ-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C14H12O4/c1-17-13(15)11-5-3-10-8-12(14(16)18-2)6-4-9(10)7-11/h3-8H,1-2H3 |
| IUPAC name chemrof:IUPAC_name | Dimethyl Naphthalene-2,6-dicarboxylate |
| Molecular formula chemrof:molecular_formula | C14H12O4 |
| Molecular mass chemrof:molecular_mass | 244.246 |
| Monoisotopic mass chemrof:monoisotopic_mass | 244.073559 |
| SMILES string chemrof:smiles_string | COC(=O)c1ccc2cc(C(=O)OC)ccc2c1 |
Known URLs
9Where 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=840-65-3 | enrich_references.consensus_cas_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.011.511 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID6029202 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=59387 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3188234 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/X4Q5T8RS0G | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J40.514K | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/61225 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q27293554 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 352ec2b5-cd57-4811-9a40-25667c0926b4 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| 81498bd3-3fb6-484f-b3e0-c09a283539b4 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| ac256312-7792-43e9-a100-cf46d840b8b6 | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| 18a05b10-7b96-4764-9565-1e8a75e922d1 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| e72e834a-16ae-4667-8a7e-b53b3aebcb74 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| aa2a595c-a836-4df0-a998-b9a69ced65a0 | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| dce3ae5c-8631-4d9a-8d5f-ca618eb87c26 | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| 1a90863b-8aea-484a-b4f5-5c6bcece7c95 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| d514e7c2-a217-4ab5-b44d-12bb5f443083 | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| 770d8c65-2e78-41d4-a4a6-6fd5df94ac0d | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 09935238-5a9d-4d8b-8d16-c6e4d0125bec | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| f7beb6a0-a264-445c-8db7-94d4f3df438e | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| c64e1bc1-e60f-44b1-a7be-6398257670a0 | 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