Consensus flow list

Identity

Type
Neutral molecule
CAS
708-76-9
EC
211-904-1
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 4,6-dimethoxysalicylaldehyde

Alternative labels

6

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string FQRQWPNYJOFDLO-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C9H10O4/c1-12-6-3-8(11)7(5-10)9(4-6)13-2/h3-5,11H,1-2H3
IUPAC name chemrof:IUPAC_name 4,6-dimethoxysalicylaldehyde
Molecular formula chemrof:molecular_formula C9H10O4
Molecular mass chemrof:molecular_mass 182.175
Monoisotopic mass chemrof:monoisotopic_mass 182.057909
SMILES string chemrof:smiles_string COc1cc(O)c(C=O)c(OC)c1

Known URLs

8

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=708-76-9 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.010.823 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID3022110 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3660367 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/8AQ22EXM7G enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J193.077J enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/69725 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q72468582 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
ffc86de0-9f14-44f9-b8d6-17ef2b695e08 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
5fa62814-874f-4583-85f8-251070906797 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
943642e7-c66f-442e-a2ab-b1d19cb7c219 Environmental → Air → Indoor EF 3.1 kg 2
fafc3317-4332-4ef7-8570-ff71f6caf496 Environmental → Air → Long-term EF 3.1 kg 0
04316a63-18c2-466f-bc57-951d1f0d1143 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
ed0eb671-d732-431e-aca9-51675131ba2b Environmental → Air → Unknown EF 3.1 kg 2
e5f06a64-088c-41da-8c54-1a884d350000 Environmental → Ground → Agricultural EF 3.1 kg 2
76827bef-c6fe-49f0-a30d-a432a2420173 Environmental → Ground → Non-agricultural EF 3.1 kg 2
ee02a28e-cc5e-439e-a97c-d5fbc6b27e32 Environmental → Ground → Unknown EF 3.1 kg 2
09da3867-4fd9-489f-8b06-4ba622f43466 Environmental → Water → Long-term EF 3.1 kg 0
8075a46a-c3e9-4d37-b2df-118b428916fd Environmental → Water → Ocean EF 3.1 kg 2
71feb9e3-50f9-4454-8464-334ded85a615 Environmental → Water → Surface water EF 3.1 kg 2
9c854610-5c1f-4991-a733-268e09d7e15b 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-fdfff34b66e10140",
  "prefLabel": [
    {
      "@value": "4,6-dimethoxysalicylaldehyde",
      "@language": "en",
      "@lang": "en",
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        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "2,4-Dimethoxy-6-hydroxybenzaldehyde",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Formyl-3,5-dimethoxyphenol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Hydroxy-4,6-dimethoxybenzaldehyde",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4,6-Dimethoxy-2-hydroxybenzaldehyde",
      "@language": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzaldehyde, 2-hydroxy-4,6-dimethoxy-",
      "@language": "en",
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    },
    {
      "@value": "Salicylaldehyde, 4,6-dimethoxy-",
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}

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