Consensus flow list

Identity

Type
Chemical salt
CAS
84592-32-5
EC
617-589-0
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for [(5-(4-hydroxy-2,6,6-trimethyl-3-oxo-1-cyclohexen-1-yl)-3-methyl-2,4-pentadienyl](triphenyl)phosphonium Bromide

Alternative labels

2

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string YLJIAWIWLCACLS-UHFFFAOYSA-M
InChI2D string chemrof:inchi2d_string InChI=1S/C33H36O2P.BrH/c1-25(20-21-30-26(2)32(35)31(34)24-33(30,3)4)22-23-36(27-14-8-5-9-15-27,28-16-10-6-11-17-28)29-18-12-7-13-19-29;/h5-22,31,34H,23-24H2,1-4H3;1H/q+1;/p-1
IUPAC name chemrof:IUPAC_name Phosphonium, [5-(4-hydroxy-2,6,6-trimethyl-3-oxo-1-cyclohexen-1-yl)-3-methyl-2,4-pentadien-1-yl]triphenyl-, bromide (1:1)
Molecular formula chemrof:molecular_formula C33H36BrO2P
Molecular mass chemrof:molecular_mass 575.527
Monoisotopic mass chemrof:monoisotopic_mass 574.163629
SMILES string chemrof:smiles_string CC(C=CC1=C(C)C(=O)C(O)CC1(C)C)=CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]

Known URLs

3

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=84592-32-5 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID301335156 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/85219789 enrich_references.pubchem_compound

Elementary flows

13
Flow Context Source Unit CFs
b6214dd1-7229-4317-9282-e55c10b40eb0 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
b5bbcdf6-84b7-4f87-9fd4-3eed92407232 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
b447cee7-608f-45a0-a974-8a8b254a3c00 Environmental → Air → Indoor EF 3.1 kg 2
db28686b-759b-4419-b0a4-62201fac92da Environmental → Air → Long-term EF 3.1 kg 0
fcf6c8d4-5e63-4310-ada3-0268fd8a6c76 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
1f6ac5f4-c6a3-432e-99dd-a35de744c028 Environmental → Air → Unknown EF 3.1 kg 2
97b2a1c1-532c-436b-a90e-d5051ebda931 Environmental → Ground → Agricultural EF 3.1 kg 2
086d9992-3ae0-4129-9ab1-6c118d4ccc78 Environmental → Ground → Non-agricultural EF 3.1 kg 2
db9bb068-be04-4f8f-a3a8-98edb109af9d Environmental → Ground → Unknown EF 3.1 kg 2
db752c9f-6971-4b27-9685-cb3191f104f9 Environmental → Water → Long-term EF 3.1 kg 0
c38c252d-e97c-41de-ac48-30c099ad7747 Environmental → Water → Ocean EF 3.1 kg 2
b7dff54b-d6d5-412a-9f96-6ff71ba596d5 Environmental → Water → Surface water EF 3.1 kg 2
f05c037f-91f8-402f-94ea-a2fc1e975b1c 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-d25fe3668db13993",
  "prefLabel": [
    {
      "@value": "[(5-(4-hydroxy-2,6,6-trimethyl-3-oxo-1-cyclohexen-1-yl)-3-methyl-2,4-pentadienyl](triphenyl)phosphonium Bromide",
      "@language": "en",
      "@lang": "en",
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  ],
  "altLabel": [
    {
      "@value": "Phosphonium, [5-(4-hydroxy-2,6,6-trimethyl-3-oxo-1-cyclohexen-1-yl)-3-methyl-2,4-pentadien-1-yl]triphenyl-, bromide (1:1)",
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    {
      "@value": "Phosphonium, [5-(4-hydroxy-2,6,6-trimethyl-3-oxo-1-cyclohexen-1-yl)-3-methyl-2,4-pentadienyl]triphenyl-, bromide",
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  "properties": {
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            "CC1=C(C(CC(C1=O)O)(C)C)C=CC(=CC[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C.[Br-]"
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}

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