Dimethyl 1,4-cyclohexane Dicarboxylate
fo-016577a9042194f0
Identity
- Type
- Neutral molecule
- CAS
- 94-60-0
- EC
- 202-347-5
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 54 across every transformer
Structure
Alternative labels
6- 1,4-Cyclohexanedicarboxylic acid, 1,4-dimethyl ester
- 1,4-Cyclohexanedicarboxylic acid, dimethyl ester
- 1,4-Cyclohexanedicarboxylic dimethyl ester
- 1,4-Dimethyl cyclohexane-1,4-dicarboxylate
- Dimethyl 1,4-cyclohexanedicarboxylate
- Dimethyl hexahydroterephthalate
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | LNGAGQAGYITKCW-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C10H16O4/c1-13-9(11)7-3-5-8(6-4-7)10(12)14-2/h7-8H,3-6H2,1-2H3 |
| IUPAC name chemrof:IUPAC_name | Dimethyl 1,4-cyclohexane Dicarboxylate |
| Molecular formula chemrof:molecular_formula | C10H16O4 |
| Molecular mass chemrof:molecular_mass | 200.234 |
| Monoisotopic mass chemrof:monoisotopic_mass | 200.104859 |
| SMILES string chemrof:smiles_string | COC(=O)C1CCC(C(=O)OC)CC1 |
Known URLs
16Where 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=94-60-0 | enrich_references.consensus_cas_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.002.134 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.127.319 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.203.320 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID1029255 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID3026566 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=76564 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1894902 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3186827 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/35IVG3419I | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/YS87MDS0ZV | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J70.191B | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J785.082D | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J785.083B | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/7198 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q72469677 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| ef36560c-edaa-467b-810f-bb041d65d2db | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| 61290438-e472-4f93-a6da-7f3d2aa7fee6 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| 53165120-0797-45ac-8092-393ac5707cf4 | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| 4b1b32a0-438e-441b-9ea8-8a22f56fb1d6 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 5ef74d8b-4e54-4e97-830e-3e5f8b1504ed | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| 9b769bb3-2d77-41c3-89dd-2d616affcf8b | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| 95605862-e4b0-4ce9-9f99-a3a6e17440da | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| 4aa5b59a-9b8f-4fb3-b224-772aac88b5dc | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| b3449a97-768b-40c1-960a-d878ff343567 | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| 58f60c70-c11e-45f0-bafb-d7d2413354ee | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| df40d176-1859-4f38-9a0f-a8b96e8f242c | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| 6c01996d-b75d-47d5-9568-a7b53ae274ca | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| 0e4bac39-7613-46a9-b4d2-c4e49ac718b1 | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
History
Everything that changed this substance (54 changes)
Full record
Flow object JSON
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"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