Consensus flow list

3-[butoxy(methyl)phosphoryl]-1-cyanopropyl Acetate

fo-02bcece40ad943a5

Identity

Type
Neutral molecule
CAS
167004-78-6
EC
605-460-1
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for 3-[butoxy(methyl)phosphoryl]-1-cyanopropyl Acetate

Alternative labels

4

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string FVJMPOQOCYFLLM-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C11H20NO4P/c1-4-5-7-15-17(3,14)8-6-11(9-12)16-10(2)13/h11H,4-8H2,1-3H3
IUPAC name chemrof:IUPAC_name 3-[butoxy(methyl)phosphoryl]-1-cyanopropyl Acetate
Molecular formula chemrof:molecular_formula C11H20NO4P
Molecular mass chemrof:molecular_mass 261.258
Monoisotopic mass chemrof:monoisotopic_mass 261.112995
SMILES string chemrof:smiles_string CCCCOP(C)(=O)CCC(C#N)OC(C)=O

Known URLs

6

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=167004-78-6 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.110.691 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID60889055 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/HU81O2K1GB enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/44145865 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27280109 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
c9300428-fad0-45e3-a1bf-5a61320708cd Environmental → Air → Aircraft cruise height EF 3.1 kg 4
86c8f839-9c89-4085-ab1b-b08cd3724101 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
68d7fee1-578b-4c4f-86af-7fa66b10fbf2 Environmental → Air → Indoor EF 3.1 kg 4
0fbad700-c07b-4e49-a5a1-868441581c58 Environmental → Air → Long-term EF 3.1 kg 0
510e313d-05d3-4075-9634-47ca115cd114 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
3aed98fc-26b8-41bf-9e37-a1c9f514b508 Environmental → Air → Unknown EF 3.1 kg 4
8b35dc34-1dd2-4f2c-aa76-39f90772d102 Environmental → Ground → Agricultural EF 3.1 kg 4
e7208993-491d-4a62-9540-518a741694ef Environmental → Ground → Non-agricultural EF 3.1 kg 4
d15d7f7b-8865-401e-a3db-148b3a5307b8 Environmental → Ground → Unknown EF 3.1 kg 4
555ed33d-cd34-4369-bd49-d188b78bfa9f Environmental → Water → Long-term EF 3.1 kg 0
986c34d6-262a-48cb-bee9-b57cff6d2753 Environmental → Water → Ocean EF 3.1 kg 4
ca18de0f-ef5d-42d7-9dc1-a0e7f1271222 Environmental → Water → Surface water EF 3.1 kg 4
cd471ecd-79e8-42c4-9145-7ce15c0f2e22 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON 
{
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  "altLabel": [
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    {
      "@value": "Butyl P-[3-(acetyloxy)-3-cyanopropyl]-P-methylphosphinate",
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}

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