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2-(3,5-dimethylhex-3-en-2-yloxy)-2-methylpropyl Cyclopropanecarboxylate

fo-abd02af2f3f9294a

Identity

Type
Neutral molecule
CAS
676532-44-8
EC
700-118-9
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 2-(3,5-dimethylhex-3-en-2-yloxy)-2-methylpropyl Cyclopropanecarboxylate

Alternative labels

4

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string ZYIJXTQXQNXPSH-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C16H28O3/c1-11(2)9-12(3)13(4)19-16(5,6)10-18-15(17)14-7-8-14/h9,11,13-14H,7-8,10H2,1-6H3
IUPAC name chemrof:IUPAC_name 2-(3,5-dimethylhex-3-en-2-yloxy)-2-methylpropyl Cyclopropanecarboxylate
Molecular formula chemrof:molecular_formula C16H28O3
Molecular mass chemrof:molecular_mass 268.397
Monoisotopic mass chemrof:monoisotopic_mass 268.203845
SMILES string chemrof:smiles_string CC(=CC(C)C)C(C)OC(C)(C)COC(=O)C1CC1

Known URLs

4

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=676532-44-8 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID50889201 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/66769843 enrich_references.pubchem_compound
Wikidata https://www.wikidata.org/wiki/Q82869005 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
f7c960d1-2500-4d85-bd04-dfd97acb839e Environmental → Air → Aircraft cruise height EF 3.1 kg 2
63884211-1e8a-4717-85c0-ce2b3327a2e0 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
f10b34d5-fdab-4de8-9748-461fc3d7b02d Environmental → Air → Indoor EF 3.1 kg 2
4ae94076-10f8-4f82-b4af-3657edf3789b Environmental → Air → Long-term EF 3.1 kg 0
82c4f3d8-3ac0-41c2-ae2f-72b4c1d3abab Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
65a22abe-8406-4a5c-84c9-332c4e674452 Environmental → Air → Unknown EF 3.1 kg 2
20a0cb26-a3e9-4381-9959-e92dbe63a6a2 Environmental → Ground → Agricultural EF 3.1 kg 2
83e786cc-1431-4531-b61d-dc24393ffc37 Environmental → Ground → Non-agricultural EF 3.1 kg 2
ac7590f1-dc97-4d83-a8f8-5d4a1ee4fd32 Environmental → Ground → Unknown EF 3.1 kg 2
80e56837-3a12-4959-b21b-bfb8284c6fa4 Environmental → Water → Long-term EF 3.1 kg 0
9bef4bd2-4f83-4d17-83a5-b6fe3eda840c Environmental → Water → Ocean EF 3.1 kg 2
f5556544-4d9c-4429-913e-41c292d29db9 Environmental → Water → Surface water EF 3.1 kg 2
139baee0-def3-4f4b-a832-075c3c179a92 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-abd02af2f3f9294a",
  "prefLabel": [
    {
      "@value": "2-(3,5-dimethylhex-3-en-2-yloxy)-2-methylpropyl Cyclopropanecarboxylate",
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      }
    }
  ],
  "altLabel": [
    {
      "@value": "2-Methyl-2-[(1,2,4-trimethyl-2-penten-1-yl)oxy]propyl cyclopropanecarboxylate",
      "@language": "en",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Cyclopropanecarboxylic acid, 2-methyl-2-[(1,2,4-trimethyl-2-penten-1-yl)oxy]propyl ester",
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    },
    {
      "@value": "Cyclopropanecarboxylic acid, 2-methyl-2-[(1,2,4-trimethyl-2-pentenyl)oxy]propyl ester",
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    "https://w3id.org/chemrof/monoisotopic_mass": {
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  "created_from": {
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}

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