Consensus flow list

Identity

Type
NeutralMolecule
CAS
100-79-8
EC
202-888-7
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for 2,2-dimethyl-1,3-dioxolan-4-ylmethanol

Alternative labels

48

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string RNVYQYLELCKWAN-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C6H12O3/c1-6(2)8-4-5(3-7)9-6/h5,7H,3-4H2,1-2H3
IUPAC name chemrof:IUPAC_name 2,2-dimethyl-1,3-dioxolan-4-ylmethanol
Molecular formula chemrof:molecular_formula C6H12O3
Molecular mass chemrof:molecular_mass 132.159
Monoisotopic mass chemrof:monoisotopic_mass 132.078644
SMILES string chemrof:smiles_string CC1(C)OCC(CO)O1

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=100-79-8 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.002.626 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0790 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID9021845 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=59720 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3342436 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/3XK098O8ZW enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0258367 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J20.693H enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=131398 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/7528 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q2968854 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Solketal enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
c77c41d0-18c1-4d29-bd46-91bb89b16446 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
53a0cdf8-2536-4fbc-84f1-ec3527b405d8 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
8cbd2f04-69a6-45cc-b7e3-602e3e1bd69b Environmental → Air → Indoor EF 3.1 kg 4
65b4e488-0a71-4283-99f4-b6ffc70de86c Environmental → Air → Long-term EF 3.1 kg 0
a3aa4629-7da2-4ce7-9fbd-43f24c062284 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
da275fc3-0137-43eb-8c1a-c73c73c12d24 Environmental → Air → Unknown EF 3.1 kg 4
c0d80063-7f16-4b91-832d-0bf0f6375802 Environmental → Ground → Agricultural EF 3.1 kg 4
71fd0e34-cae4-4219-8cbc-86a59221ce7c Environmental → Ground → Non-agricultural EF 3.1 kg 4
b0e62da2-da22-4e39-871b-07bd08039b6c Environmental → Ground → Unknown EF 3.1 kg 4
b73063ec-9138-4ac1-9398-9f388cf224ff Environmental → Water → Long-term EF 3.1 kg 0
267d2015-a18b-4d5a-9e9e-1de1071a0cf2 Environmental → Water → Ocean EF 3.1 kg 4
ca88b11b-f9f4-451b-9cb4-75c442a5ea15 Environmental → Water → Surface water EF 3.1 kg 4
60149f7e-dbcc-4156-a612-aa3670c1eaf8 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
{
  "flow_object_id": "fo-8d8f7f810382105d",
  "prefLabel": [
    {
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      "@language": "en",
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        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "(2,2-Dimethyl-[1,3]-dioxolan-4-yl)methanol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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      }
    },
    {
      "@value": "(4RS)-2,2-Dimethyl-1,3-dioxolane-4-methanol",
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      }
    },
    {
      "@value": "(RS)-Solketal",
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      "@value": "(±)-1,2-O-Isopropylideneglycerol",
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    },
    {
      "@value": "(±)-2,2-Dimethyl-1,3-dioxolane-4-methanol",
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    },
    {
      "@value": "(±)-Glycerol 1,2-acetonide",
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    },
    {
      "@value": "1,2-Isopropylideneglycerin",
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    },
    {
      "@value": "1,2-Isopropylideneglycerol",
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    },
    {
      "@value": "1,2-O,O-Isopropylideneglycerin",
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    },
    {
      "@value": "1,2-O-Isopropylidene-rac-glycerol",
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      "@value": "1,2-O-Isopropylideneglycerol",
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        ],
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      }
    },
    {
      "@value": "1,3-Dioxolane-4-methanol, 2,2-dimethyl-",
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      "@lang": "en",
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    },
    {
      "@value": "2,2-Dimethyl-1,3-dioxolan-4-methanol",
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      }
    },
    {
      "@value": "2,2-Dimethyl-1,3-dioxolane-4-methanol",
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      "@lang": "en",
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        ],
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      }
    },
    {
      "@value": "2,2-Dimethyl-1,3-dioxolane-5-methanol",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2,2-Dimethyl-4-hydroxymethyl-1,3-dioxolan",
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      "@lang": "en",
      "provenance": {
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        ],
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      }
    },
    {
      "@value": "2,2-Dimethyl-4-hydroxymethyl-1,3-dioxolane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2,2-Dimethyl-4-hydroxymethyldioxolane",
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      "@lang": "en",
      "provenance": {
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        ],
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      }
    },
    {
      "@value": "2,2-Dimethyl-5-hydroxymethyl-1,3-dioxolane",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2,2-Dimethyldioxolane-4-methanol",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2,3-(Isopropylidenedioxy)propanol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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      }
    },
    {
      "@value": "2,3-Isopropylideneglycerol",
      "@language": "en",
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          "https://commonchemistry.cas.org/detail?cas_rn=100-79-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2,3-O-Isopropylideneglycerol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "https://commonchemistry.cas.org/detail?cas_rn=100-79-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Dimethyl-4-oxymethyl-1,3-dioxolane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "https://commonchemistry.cas.org/detail?cas_rn=100-79-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4-(Hydroxymethyl)-2,2-dimethyl-1,3-dioxolane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "https://commonchemistry.cas.org/detail?cas_rn=100-79-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Acetone glycerin ketal",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:100-79-8",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=100-79-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Acetone glyceryl acetal",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "https://commonchemistry.cas.org/detail?cas_rn=100-79-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Acetone monoglycerol ketal",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=100-79-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Augeo Clean Multi",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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          "https://commonchemistry.cas.org/detail?cas_rn=100-79-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Augeo MC",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Augeo SF 191",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Augeo SL 191",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "DL-1,2-Isopropylidene glycerol",
      "@language": "en",
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      "provenance": {
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        ],
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      }
    },
    {
      "@value": "DL-1,2-Isopropylideneglycerol",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "DL-Isopropylideneglycerol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "https://commonchemistry.cas.org/detail?cas_rn=100-79-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "GIE",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "https://commonchemistry.cas.org/detail?cas_rn=100-79-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Glycerin acetone ketal",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
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