Propane-1,3-diol

(HOCH2)2CH2
1,3-dihydroxypropane
1,3-PROPANDIOL
1,3-Propanediol
1,3-propylene glycol
1,3-propylenediol
2-(hydroxymethyl)ethanol
2-deoxyglycerol
Activonol 3
beta-propylene glycol
Bio-PDO
CH2(CH2OH)2
HO(CH2)3OH
HOCH2CH2CH2OH
omega-propanediol
Propan-1,3-diol
Susterra
Trimethylene glycol
Zemea
Zemea propanediol
Zemea Select Propanediol
β-Propylene glycol
ω-Propanediol

Property	Value
Elemental charge chemrof:elemental_charge	0
InChI2D key string chemrof:inchi2d_key_string	YPFDHNVEDLHUCE-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C3H8O2/c4-2-1-3-5/h4-5H,1-3H2
IUPAC name chemrof:IUPAC_name	Propane-1,3-diol
Molecular formula chemrof:molecular_formula	C3H8O2
Molecular mass chemrof:molecular_mass	76.095
Monoisotopic mass chemrof:monoisotopic_mass	76.052429, 76.05243
SMILES string chemrof:smiles_string	OCCCO

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=31714-45-1	enrich_references.pubchem_identifier_url
CAS Common Chemistry	https://commonchemistry.cas.org/detail?cas_rn=345260-48-2	enrich_references.pubchem_identifier_url
CAS Common Chemistry	https://commonchemistry.cas.org/detail?cas_rn=504-63-2	enrich_references.chebi_xrefs
ChEBI	https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:16109	enrich_references.chebi_id_link
chem.echa.europa.eu	https://chem.echa.europa.eu/100.007.271	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID8041246	enrich_references.pubchem_identifier_url
DrugBank	https://go.drugbank.com/drugs/DB02774	enrich_references.chebi_xrefs
drugbank.ca	https://www.drugbank.ca/drugs/DB02774	enrich_references.pubchem_identifier_url
dtp.cancer.gov	https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=65426	enrich_references.pubchem_identifier_url
ebi.ac.uk	https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL379652	enrich_references.pubchem_identifier_url
femaflavor.org	https://www.femaflavor.org/flavor-library/13-propanediol	enrich_references.pubchem_identifier_url
glycosmos.org	https://glycosmos.org/glycans/show/G36565LB	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/5965N8W85T	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.606I	enrich_references.pubchem_identifier_url
KEGG	https://www.genome.jp/entry/C02457	enrich_references.chebi_xrefs
kegg.jp	https://www.kegg.jp/entry/C02457	enrich_references.pubchem_identifier_url
metabolomicsworkbench.org	https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=49847	enrich_references.pubchem_identifier_url
MetaCyc	https://metacyc.org/compound?orgid=META&id=CPD-347	enrich_references.chebi_xrefs
pdb-ccd	pdb-ccd:PDO	enrich_references.chebi_xrefs
platform.opentargets.org	https://platform.opentargets.org/drug/CHEMBL379652	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/10442	enrich_references.pubchem_compound
PubMed	https://pubmed.ncbi.nlm.nih.gov/10531640	enrich_references.chebi_xrefs
PubMed	https://pubmed.ncbi.nlm.nih.gov/16020043	enrich_references.chebi_xrefs
PubMed	https://pubmed.ncbi.nlm.nih.gov/17439666	enrich_references.chebi_xrefs
reaxys	reaxys:969155	enrich_references.chebi_xrefs
rxnav.nlm.nih.gov	https://rxnav.nlm.nih.gov/id/rxnorm/1363030	enrich_references.pubchem_identifier_url
Wikidata	https://www.wikidata.org/wiki/Q161514	enrich_references.pubchem_identifier_url
Wikipedia	https://en.wikipedia.org/wiki/1,3-Propanediol	enrich_references.chebi_xrefs
Wikipedia	https://en.wikipedia.org/wiki/1,3-propanediol	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
bb0cfc7f-4601-4805-8bf8-c3a3edd5bec7	Environmental → Air → Aircraft cruise height	EF 3.1	kg	4
c524570e-426e-4c08-8c45-65d74021a1fa	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	4
bff9b0b9-a64a-4eee-a62d-b2588e4c85ba	Environmental → Air → Indoor	EF 3.1	kg	4
f97846fa-82b1-401f-980e-7c09284ea7c1	Environmental → Air → Long-term	EF 3.1	kg	0
b98ec521-0b77-44e7-ad55-6258b10757d9	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	4
4f1813f6-fd00-4874-a42a-0a79c1417008	Environmental → Air → Unknown	EF 3.1	kg	4
cebf53b5-6f79-484c-a5fa-bf5217c6e1d5	Environmental → Ground → Agricultural	EF 3.1	kg	4
1c8cc479-57e8-4006-9617-3fb1fcdf45f6	Environmental → Ground → Non-agricultural	EF 3.1	kg	4
afe9eed9-0179-4d7e-92f0-e1ba496f9235	Environmental → Ground → Unknown	EF 3.1	kg	4
c7dddc27-ed4e-4e3f-9793-dd0c24e18bd6	Environmental → Water → Long-term	EF 3.1	kg	0
74adfbdf-558a-4a04-ad0d-4ab1e4ff1769	Environmental → Water → Ocean	EF 3.1	kg	4
25999321-a8d9-4996-aa08-2a73c7c758b2	Environmental → Water → Surface water	EF 3.1	kg	4
05e52683-31a4-4e74-b2e6-be2ce2c3b282	Environmental → Water → Unknown	EF 3.1	kg	4

Everything that changed this substance (57 changes)

Open the changes page

Flow object JSON

{
  "flow_object_id": "fo-42351383debed6f0",
  "prefLabel": [
    {
      "@value": "Propane-1,3-diol",
      "@language": "en",
      "@lang": "en",
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        "prov:wasDerivedFrom": "legacy name field"
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  ],
  "altLabel": [
    {
      "@value": "(HOCH2)2CH2",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "brightway-flows",
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        "prov:wasDerivedFrom": "chebi synonym match"
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    },
    {
      "@value": "1,3-dihydroxypropane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
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        "prov:wasDerivedFrom": "chebi synonym match"
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    {
      "@value": "1,3-PROPANDIOL",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "brightway-flows",
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "1,3-Propanediol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "brightway-flows",
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        "prov:wasDerivedFrom": "chebi synonym match"
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    {
      "@value": "1,3-propylene glycol",
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      "provenance": {
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        "prov:wasAttributedTo": "brightway-flows",
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        "prov:wasDerivedFrom": "chebi synonym match"
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    },
    {
      "@value": "1,3-propylenediol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "brightway-flows",
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        "prov:wasDerivedFrom": "chebi synonym match"
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    },
    {
      "@value": "2-(hydroxymethyl)ethanol",
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      "provenance": {
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        "prov:wasDerivedFrom": "chebi synonym match"
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    },
    {
      "@value": "2-deoxyglycerol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasDerivedFrom": "chebi synonym match"
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    },
    {
      "@value": "Activonol 3",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
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    },
    {
      "@value": "beta-propylene glycol",
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      "provenance": {
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    },
    {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "CH2(CH2OH)2",
      "@language": "en",
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      "provenance": {
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    },
    {
      "@value": "HO(CH2)3OH",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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    },
    {
      "@value": "HOCH2CH2CH2OH",
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    },
    {
      "@value": "omega-propanediol",
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    {
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    {
      "@value": "Trimethylene glycol",
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    },
    {
      "@value": "Zemea propanediol",
      "@language": "en",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
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    },
    {
      "@value": "Zemea Select Propanediol",
      "@language": "en",
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      "provenance": {
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    },
    {
      "@value": "β-Propylene glycol",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
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    },
    {
      "@value": "ω-Propanediol",
      "@language": "en",
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  "properties": {
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Propane-1,3-diol

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

History

Full record

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