Consensus flow list

Identity

Type
Molecular complex
CAS
28961-43-5
EC
500-066-5
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for Propylidynetrimethanol, Ethoxylated, Esters With Acrylic Acid

This substance carries 4 candidate structures; the diagram is the first one RDKit could parse, not a settled answer.

Alternative labels

88

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string AFDOIZVAMVVAKT-UHFFFAOYSA-N, MTPIZGPBYCHTGQ-UHFFFAOYSA-N, SYHFQPNMHKFCAN-UHFFFAOYSA-N, UUUVGHPVIXAVJQ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C21H32O9.3CH4/c1-5-18(22)28-12-9-25-15-21(8-4,16-26-10-13-29-19(23)6-2)17-27-11-14-30-20(24)7-3;;;/h5-7H,1-3,8-17H2,4H3;3*1H4, InChI=1S/C21H32O9.3H3N/c1-5-18(22)28-12-9-25-15-21(8-4,16-26-10-13-29-19(23)6-2)17-27-11-14-30-20(24)7-3;;;/h5-7H,1-3,8-17H2,4H3;3*1H3, InChI=1S/C21H32O9/c1-5-18(22)28-12-9-25-15-21(8-4,16-26-10-13-29-19(23)6-2)17-27-11-14-30-20(24)7-3/h5-7H,1-3,8-17H2,4H3, InChI=1S/C6H14O3.3C5H8O3/c1-2-6(3-7,4-8)5-9;3*1-3-5(6)8-7-4-2/h7-9H,2-5H2,1H3;3*3H,1,4H2,2H3
IUPAC name chemrof:IUPAC_name 2-[2,2-bis(2-prop-2-enoyloxyethoxymethyl)butoxy]ethyl prop-2-enoate, 2-[2,2-bis(2-prop-2-enoyloxyethoxymethyl)butoxy]ethyl prop-2-enoate;methane, 2-ethyl-2-(hydroxymethyl)propane-1,3-diol;tris(2-propeneperoxoic acid ethyl ester), 2-ethyl-2-(hydroxymethyl)propane-1,3-diol;tris(ethyl prop-2-eneperoxoate), 2-ethyl-2-methylol-propane-1,3-diol;peroxyacrylic acid ethyl ester, 2-propenoic acid 2-[2,2-bis[2-(1-oxoprop-2-enoxy)ethoxymethyl]butoxy]ethyl ester, acrylic acid 2-[2,2-bis(2-acryloyloxyethoxymethyl)butoxy]ethyl ester, acrylic acid 2-[2,2-bis(2-acryloyloxyethoxymethyl)butoxy]ethyl ester;ammonia, acrylic acid 2-[2,2-bis(2-acryloyloxyethoxymethyl)butoxy]ethyl ester;methane, ammonia;2-[2,2-bis(2-prop-2-enoyloxyethoxymethyl)butoxy]ethyl prop-2-enoate, ammonia;2-propenoic acid 2-[2,2-bis[2-(1-oxoprop-2-enoxy)ethoxymethyl]butoxy]ethyl ester, azane;2-[2,2-bis(2-prop-2-enoyloxyethoxymethyl)butoxy]ethyl prop-2-enoate, methane;2-propenoic acid 2-[2,2-bis[2-(1-oxoprop-2-enoxy)ethoxymethyl]butoxy]ethyl ester
Molecular formula chemrof:molecular_formula C21H32O9, C21H38O12, C21H41N3O9, C24H44O9
SMILES string chemrof:smiles_string C.C.C.CCC(COCCOC(=O)C=C)(COCCOC(=O)C=C)COCCOC(=O)C=C, CCC(CO)(CO)CO.CCOOC(=O)C=C.CCOOC(=O)C=C.CCOOC(=O)C=C, CCC(COCCOC(=O)C=C)(COCCOC(=O)C=C)COCCOC(=O)C=C, CCC(COCCOC(=O)C=C)(COCCOC(=O)C=C)COCCOC(=O)C=C.N.N.N

Known URLs

13

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=28961-43-5 enrich_references.pubchem_identifier_url
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=75577-71-8 enrich_references.pubchem_identifier_url
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=85887-85-0 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.071.124 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID00858841 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1475714 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J307.588E enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/115157 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/121513938 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/171042311 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/177671668 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q72471734 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q81977841 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
06f1d9ef-af62-4774-8984-48a0f340ba19 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
91131c43-54d9-455d-85f9-3e0af1b0e7a5 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
be043ddf-1731-426a-8597-7646f9da14d5 Environmental → Air → Indoor EF 3.1 kg 4
ed315c8f-3cf8-43c0-9a7a-2f28dec777a6 Environmental → Air → Long-term EF 3.1 kg 0
03691f3b-4b40-42fc-900b-7cdb162d8a39 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
b71e3540-1b7f-4f72-84dc-c20dcdd7a0c1 Environmental → Air → Unknown EF 3.1 kg 4
85bfe13c-cde4-41c1-95b5-4d1d31fdd55a Environmental → Ground → Agricultural EF 3.1 kg 4
13eb60c3-1c21-41bb-9dc7-0e9e4174343f Environmental → Ground → Non-agricultural EF 3.1 kg 4
485e16e3-9b04-4bf1-8870-b2d950b70052 Environmental → Ground → Unknown EF 3.1 kg 4
b58fec2b-4c0e-449d-b2c4-8d82f2a9c08b Environmental → Water → Long-term EF 3.1 kg 0
bf16a301-39b0-4fcc-8cec-801ae8cdf4ef Environmental → Water → Ocean EF 3.1 kg 4
fc2752b3-cd1f-48a8-b381-a9462ba4cdf7 Environmental → Water → Surface water EF 3.1 kg 4
a42263c0-200c-4de5-b8b5-61ebfd4e6e52 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
{
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    {
      "@value": "Ethoxylated trihydroxymethylpropane triacrylate",
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      "provenance": {
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      }
    },
    {
      "@value": "Ethoxylated trimethylolpropane triacrylate",
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      }
    },
    {
      "@value": "Ethoxylated trimethylolpropane tripropenoate",
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    {
      "@value": "Ethoxylated trimethylpropane triacrylate",
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    },
    {
      "@value": "Ethylene oxide-trimethylolpropane copolymer triacrylate",
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    {
      "@value": "Fancryl FA 133",
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      "@value": "Fancryl FA 137A",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
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    {
      "@value": "Fancryl TMP 21EOTA",
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    },
    {
      "@value": "Glycols, polyethylene, triether with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol, triacrylate",
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      "@value": "Kayarad THE 330",
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      }
    },
    {
      "@value": "Komerate T 032",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Komerate T 093",
      "@language": "en",
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        ],
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      }
    },
    {
      "@value": "Laromer LR 8863",
      "@language": "en",
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      }
    },
    {
      "@value": "Laromer LR 9015X",
      "@language": "en",
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        ],
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      }
    },
    {
      "@value": "Laromer PO 33F",
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      }
    },
    {
      "@value": "Light Acrylate TMP 3EO-A",
      "@language": "en",
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      "provenance": {
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}

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