4-tert-butylcyclohexyl Chlorocarbonate
fo-9d993df0d4f40676
Identity
- Type
- Neutral molecule
- CAS
- 42125-46-2
- EC
- 255-670-9
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 55 across every transformer
Structure
Alternative labels
4- 4-(1,1-Dimethylethyl)cyclohexyl carbonochloridate
- 4-tert-Butylcyclohexyl chloroformate
- Carbonochloridic acid, 4-(1,1-dimethylethyl)cyclohexyl ester
- Formic acid, chloro-, 4-tert-butylcyclohexyl ester
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | YXFSGPPQRCUVRL-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C11H19ClO2/c1-11(2,3)8-4-6-9(7-5-8)14-10(12)13/h8-9H,4-7H2,1-3H3 |
| IUPAC name chemrof:IUPAC_name | 4-tert-butylcyclohexyl Chlorocarbonate |
| Molecular formula chemrof:molecular_formula | C11H19ClO2 |
| Molecular mass chemrof:molecular_mass | 218.724 |
| Monoisotopic mass chemrof:monoisotopic_mass | 218.107358 |
| SMILES string chemrof:smiles_string | CC(C)(C)C1CCC(OC(=O)Cl)CC1 |
Known URLs
7Where 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=42125-46-2 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.050.592 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID0052093 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J278.339H | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.803.321B | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/170608 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q72502799 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| d3ffe936-5403-44c9-97ec-5bcbb3d2cf05 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| e92b378b-2373-449c-a72b-28522f58bf2b | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| 6e96a67c-2c9e-4d87-9af1-3a3ef5a9e743 | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| 06378a12-aee4-43e8-b3c3-75888f184edf | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 0188cfb3-7abe-4aa7-95e0-858196ab8e26 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| 93182b06-3439-480b-a272-9f1108153f2a | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| aa3efb88-8d38-4c22-bd0c-71bfe7720fcb | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| 59728bb7-219f-4730-9368-f22842c626ff | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| 3333b05c-edd3-4b9d-8055-a4a2c656212e | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| cd6e24f3-ce03-42de-847f-a33700581bf3 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 8d3ffa09-d7db-46e7-9fed-bd26bfd070f8 | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| 7ebd83a9-d177-4eb3-92a1-07566ec049ba | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| 526e3da6-c638-488f-a7dc-f4b44acef8ef | Environmental → Water → Unknown | EF 3.1 | kg | 2 |
History
Everything that changed this substance (55 changes)
Full record
Flow object JSON
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- This is not that chemical
- This record is two substances, or it is a second copy of one
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