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1-(2-ethylbutyl)cyclohexanecarbonyl Chloride

fo-48cecd006e48e297

Identity

Type
Neutral molecule
CAS
211515-46-7
EC
619-547-7
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 1-(2-ethylbutyl)cyclohexanecarbonyl Chloride

Alternative labels

1

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string LAMMLENPKIOKSX-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C13H23ClO/c1-3-11(4-2)10-13(12(14)15)8-6-5-7-9-13/h11H,3-10H2,1-2H3
IUPAC name chemrof:IUPAC_name 1-(2-ethylbutyl)cyclohexanecarbonyl Chloride
Molecular formula chemrof:molecular_formula C13H23ClO
Molecular mass chemrof:molecular_mass 230.779
Monoisotopic mass chemrof:monoisotopic_mass 230.143743
SMILES string chemrof:smiles_string CCC(CC)CC1(C(=O)Cl)CCCCC1

Known URLs

5

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=211515-46-7 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.115.417 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID901257508 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/10657125 enrich_references.pubchem_compound
Wikidata https://www.wikidata.org/wiki/Q126673361 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
d67cf40b-4406-4718-8425-e92aec623674 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
16abb4ee-58f1-44a7-8583-ec823ef41994 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
e2651731-7d4d-4974-80c9-6e45e2658e17 Environmental → Air → Indoor EF 3.1 kg 2
e3f9ceca-5874-40bf-a323-e08c8ad385de Environmental → Air → Long-term EF 3.1 kg 0
fc319600-6b9d-418d-a0f9-653aa025ccb7 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
5f9aea62-26c6-40a3-a88f-bfa73504d721 Environmental → Air → Unknown EF 3.1 kg 2
f00ed09d-0660-4e28-b56a-7c38d184c390 Environmental → Ground → Agricultural EF 3.1 kg 2
f120bed7-3dfa-4876-b64e-544080f03bd3 Environmental → Ground → Non-agricultural EF 3.1 kg 2
7404304e-8ab7-4de5-acfc-be57f678b086 Environmental → Ground → Unknown EF 3.1 kg 2
0653f8a2-ef27-4500-a080-faa059c9614a Environmental → Water → Long-term EF 3.1 kg 0
10d14bac-041d-4bc5-b7a5-1788eb9fc1cd Environmental → Water → Ocean EF 3.1 kg 2
7e32a44e-31e3-4f60-9136-84a2765c9060 Environmental → Water → Surface water EF 3.1 kg 2
10bf34fc-dd9f-4a36-9327-6877e745d741 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 
{
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  "altLabel": [
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      "@value": "Cyclohexanecarbonyl chloride, 1-(2-ethylbutyl)-",
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    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
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      "rdfs:label": "Monoisotopic mass",
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  "@type": [
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  ]
}

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