Consensus flow list

4-tert-butylcyclohexyl Chlorocarbonate

fo-9d993df0d4f40676

Identity

Type
NeutralMolecule
CAS
42125-46-2
EC
255-670-9
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for 4-tert-butylcyclohexyl Chlorocarbonate

Alternative labels

4

Properties

PropertyValue
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

7

Where 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.org 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)

Open the changes page

Full record

Flow object JSON 
{
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  ],
  "altLabel": [
    {
      "@value": "4-(1,1-Dimethylethyl)cyclohexyl carbonochloridate",
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    {
      "@value": "4-tert-Butylcyclohexyl chloroformate",
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    },
    {
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}

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