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Reaction Mass Of (1s,1'r)-2-[1-(3',3'-dimethyl-1'-cyclohexyl)ethoxy]-2-methylpropyl Propanoate, (1r,1'r)-2-[1-(3',3'-dimethyl-1'-cyclohexyl)ethoxy]-2-methylpropyl Propanoate And 2-methyl-2-{[(1r*,2r*)-2,6,6-trimethylcycloheptyl]oxy}propyl Propanoate

fo-b9b217a42ac55737

Identity

Type
Neutral molecule
CAS
141773-73-1
EC
604-250-7
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for Reaction Mass Of (1s,1'r)-2-[1-(3',3'-dimethyl-1'-cyclohexyl)ethoxy]-2-methylpropyl Propanoate, (1r,1'r)-2-[1-(3',3'-dimethyl-1'-cyclohexyl)ethoxy]-2-methylpropyl Propanoate And 2-methyl-2-{[(1r*,2r*)-2,6,6-trimethylcycloheptyl]oxy}propyl Propanoate

Alternative labels

4

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string LSTSBZKIQFOPHA-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C17H32O3/c1-7-15(18)19-12-17(5,6)20-13(2)14-9-8-10-16(3,4)11-14/h13-14H,7-12H2,1-6H3
IUPAC name chemrof:IUPAC_name 1-Propanol, 2-[1-(3,3-dimethylcyclohexyl)ethoxy]-2-methyl-, 1-propanoate
Molecular formula chemrof:molecular_formula C17H32O3
Molecular mass chemrof:molecular_mass 284.44
Monoisotopic mass chemrof:monoisotopic_mass 284.235145
SMILES string chemrof:smiles_string CCC(=O)OCC(C)(C)OC(C)C1CCCC(C)(C)C1

Known URLs

8

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=141773-73-1 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.101.448 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.116.423 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID7051341 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.781.585C enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/16063567 enrich_references.pubchem_compound
rxnav.nlm.nih.gov https://rxnav.nlm.nih.gov/id/rxnorm/2557366 enrich_references.pubchem_identifier_url
Wikidata https://www.wikidata.org/wiki/Q81984703 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
1273b90e-a255-4c2d-802b-c280f23fc757 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
19576a43-eec9-44f0-8e11-d2f685569ace Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
0b81514b-d589-48af-a633-59d943b5f5e8 Environmental → Air → Indoor EF 3.1 kg 4
27caaec0-ed23-4cd8-911d-84068710e803 Environmental → Air → Long-term EF 3.1 kg 0
32fcf330-88d6-4e29-9881-3ae7e92864e2 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
c0030177-b4c5-4fc2-b1a9-ef10fb61d965 Environmental → Air → Unknown EF 3.1 kg 4
90046b99-5137-492c-bece-b64b844e4f32 Environmental → Ground → Agricultural EF 3.1 kg 4
75d0f032-5cbf-4758-a2e8-872aceae2701 Environmental → Ground → Non-agricultural EF 3.1 kg 4
641421c2-f4c7-4778-875a-a2dfa4dd4785 Environmental → Ground → Unknown EF 3.1 kg 4
9a8b6113-4044-496c-85ad-2e507cda0732 Environmental → Water → Long-term EF 3.1 kg 0
5165d293-b6a7-481b-9e9f-c57d5ac411a6 Environmental → Water → Ocean EF 3.1 kg 4
09873b2d-2533-49b4-96d9-b7871baf7964 Environmental → Water → Surface water EF 3.1 kg 4
15933cba-bae6-4ae7-a675-8ac8da113211 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-b9b217a42ac55737",
  "prefLabel": [
    {
      "@value": "Reaction Mass Of (1s,1'r)-2-[1-(3',3'-dimethyl-1'-cyclohexyl)ethoxy]-2-methylpropyl Propanoate, (1r,1'r)-2-[1-(3',3'-dimethyl-1'-cyclohexyl)ethoxy]-2-methylpropyl Propanoate And 2-methyl-2-{[(1r*,2r*)-2,6,6-trimethylcycloheptyl]oxy}propyl Propanoate",
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    {
      "@value": "2-[1-(3,3-Dimethylcyclohexyl)ethoxy]-2-methylpropyl propionate",
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}

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