Consensus flow list

Identity

Type
Neutral molecule
CAS
28770-01-6
EC
608-245-0
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 2-[2-(propan-2-yl)-1,3-oxazolidin-3-yl]ethanol

Alternative labels

16

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string DZARITHRMKPIQB-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C8H17NO2/c1-7(2)8-9(3-5-10)4-6-11-8/h7-8,10H,3-6H2,1-2H3
IUPAC name chemrof:IUPAC_name 2-[2-(propan-2-yl)-1,3-oxazolidin-3-yl]ethanol
Molecular formula chemrof:molecular_formula C8H17NO2
Molecular mass chemrof:molecular_mass 159.229
Monoisotopic mass chemrof:monoisotopic_mass 159.125929
SMILES string chemrof:smiles_string CC(C)C1OCCN1CCO

Known URLs

7

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=28770-01-6 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.109.612 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID30865447 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/J4R1U8EA8D enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J62.496I enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/120043 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27281202 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
ec1667ec-65a7-437a-9d03-112de510869a Environmental → Air → Aircraft cruise height EF 3.1 kg 2
1b52aee9-ca02-4a50-93d5-504ac8163406 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
d3b85d19-9bee-47c0-bb5f-87588af35dcb Environmental → Air → Indoor EF 3.1 kg 2
64917129-0c91-4c5d-9857-9d25cc0e4d59 Environmental → Air → Long-term EF 3.1 kg 0
fba056d5-d1b2-41db-a4f6-2ec416ccfb05 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
45602e9b-532d-44fb-9dc6-737bf417f40b Environmental → Air → Unknown EF 3.1 kg 2
b2da4db7-a53f-4585-9a5b-e6949858f448 Environmental → Ground → Agricultural EF 3.1 kg 2
16059d2e-3160-4363-aa1b-d6ae266f912f Environmental → Ground → Non-agricultural EF 3.1 kg 2
d3a8cd0d-fc8a-45ce-b5de-04672760e03c Environmental → Ground → Unknown EF 3.1 kg 2
0c663981-7557-4e81-b90f-5b440b3cad25 Environmental → Water → Long-term EF 3.1 kg 0
a6f4c117-288a-46b2-b0ca-33c99a6fe27e Environmental → Water → Ocean EF 3.1 kg 2
14926fc1-cd62-40ac-9871-3d5d7bff243d Environmental → Water → Surface water EF 3.1 kg 2
a461c607-1a15-4586-a3bc-d06fe8d2106f 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-979a54f018246d2e",
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  "altLabel": [
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      "@value": "2-(1-Methylethyl)-3-oxazolidineethanol",
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    {
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        "https://commonchemistry.cas.org/detail?cas_rn=28770-01-6"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=28770-01-6"
        }
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    "http://semanticscience.org/resource/CHEMINF_000447": {
      "@value": [
        "608-245-0"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=608-245-0"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "ec_numbers"
      }
    }
  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

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