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Pentaerythritol

fo-53d71e5de43a3b21

Identity

Type
Neutral molecule
CAS
115-77-5
EC
204-104-9
Origin
EF 3.1 hybrid_name_cas_v1
Changes
57 across every transformer

Structure

Structure diagram for Pentaerythritol

Alternative labels

44

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string WXZMFSXDPGVJKK-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C5H12O4/c6-1-5(2-7,3-8)4-9/h6-9H,1-4H2
IUPAC name chemrof:IUPAC_name Pentaerythritol
Molecular formula chemrof:molecular_formula C5H12O4
Molecular mass chemrof:molecular_mass 136.147
Monoisotopic mass chemrof:monoisotopic_mass 136.073559, 136.07356
SMILES string chemrof:smiles_string OCC(CO)(CO)CO

Known URLs

35

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=115-77-5 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=54640-10-7 enrich_references.pubchem_identifier_url
cdc.gov https://www.cdc.gov/niosh-rtecs/RZ25FE90.html enrich_references.pubchem_identifier_url
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:134760 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.003.732 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.133.772 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.310.831 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=1383 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID2026943 enrich_references.pubchem_identifier_url
DrugBank https://go.drugbank.com/drugs/DB13526 enrich_references.chebi_xrefs
drugbank.ca https://www.drugbank.ca/drugs/DB13526 enrich_references.pubchem_identifier_url
drugcentral drugcentral:2085 enrich_references.chebi_xrefs
drugcentral.org https://drugcentral.org/drugcard/2085 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=8100 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3186112 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/SU420W1S6N enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0062269 enrich_references.chebi_xrefs
hts.usitc.gov https://hts.usitc.gov/search?query=2905.42.00.00 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J5.273F enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/D08331 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/D08331 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=154324 enrich_references.pubchem_identifier_url
pdb-ccd pdb-ccd:3SY enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/8285 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=017571 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/25409504 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/30640445 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/31800119 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/31965922 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/32899178 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/403052 enrich_references.chebi_xrefs
reaxys reaxys:1679274 enrich_references.chebi_xrefs
rxnav.nlm.nih.gov https://rxnav.nlm.nih.gov/id/rxnorm/33055 enrich_references.pubchem_identifier_url
Wikidata https://www.wikidata.org/wiki/Q421828 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Pentaerythritol enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
7baf80d9-85f1-4c45-8c11-c5b5b901372c Environmental → Air → Aircraft cruise height EF 3.1 kg 4
d486a370-a9b1-43b8-849b-df6530042b29 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
07f3d80e-d80b-4c62-9f75-60157dc4cf00 Environmental → Air → Indoor EF 3.1 kg 4
49c55199-d20f-4ccc-9b6a-ae9fbd2a11e1 Environmental → Air → Long-term EF 3.1 kg 0
b2f4824e-c288-4dd2-829d-645fbfcd3199 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
742fa3fa-2e93-4258-850a-90e3be802907 Environmental → Air → Unknown EF 3.1 kg 4
bd647414-76cf-4e7c-a349-7c36dd08662b Environmental → Ground → Agricultural EF 3.1 kg 4
7b516edc-bc61-4668-ae65-5232ccb2f5c2 Environmental → Ground → Non-agricultural EF 3.1 kg 4
a89c7cfc-157e-482e-b438-7c9099587dcb Environmental → Ground → Unknown EF 3.1 kg 4
3b6d3c2c-2572-461d-8ab7-437d48c88cd6 Environmental → Water → Long-term EF 3.1 kg 0
2fe31c9f-5976-4f8e-8cab-7baddb8ef273 Environmental → Water → Ocean EF 3.1 kg 4
078fd0dd-6335-4f50-badc-5feca7592500 Environmental → Water → Surface water EF 3.1 kg 4
3ac2721c-cbcb-4960-9b83-9ab4319731ee Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (57 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-53d71e5de43a3b21",
  "prefLabel": [
    {
      "@value": "Pentaerythritol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1,1,1-tris(hydroxymethyl)ethanol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "1,3-Propanediol, 2,2-bis(hydroxymethyl)-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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        "prov:hadPrimarySource": [
          "CAS:115-77-5",
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          "https://commonchemistry.cas.org/detail?cas_rn=115-77-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2,2-bis(hydroxymethyl)-1,3-propanediol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "http://purl.obolibrary.org/obo/CHEBI_134760"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "2,2-Bis(hydroxymethyl)propan-1,3-diol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=115-77-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2,2-bis(hydroxymethyl)propane-1,3-diol",
      "@language": "en",
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      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
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      }
    },
    {
      "@value": "Addforce FR-Penta M 40",
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    },
    {
      "@value": "Auxitrans",
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    },
    {
      "@value": "Charmor PM",
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      }
    },
    {
      "@value": "Charmor PM 15",
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      }
    },
    {
      "@value": "Charmor PM 40",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Charmor PT 40",
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          "https://commonchemistry.cas.org/detail?cas_rn=115-77-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Flammex DPE",
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      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Hercules P 6",
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      }
    },
    {
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      }
    },
    {
      "@value": "JLS Penta",
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        ],
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      }
    },
    {
      "@value": "JP-A 9301",
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          "https://commonchemistry.cas.org/detail?cas_rn=115-77-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Maxinutril",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_134760"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Metab-Auxil",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_134760"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "methane tetramethylol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_134760"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Microlon 93",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:115-77-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=115-77-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "mono pentaerythritol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_134760"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "monopentaerythritol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_134760"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Monopentek",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_134760"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Neulizer P",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:115-77-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=115-77-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Noirizer P",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:115-77-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=115-77-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Penetek",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_134760"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Penta F 40",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:115-77-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=115-77-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Penta-R",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:115-77-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=115-77-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "pentaerythrite",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_134760"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Pentaerythrotol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:115-77-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=115-77-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Pentarit",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:115-77-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=115-77-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Pentarit S",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:115-77-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=115-77-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Pentarit T",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:115-77-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=115-77-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Pentarit TS",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:115-77-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=115-77-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
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