2,4-dimethoxybenzaldehyde

Benzaldehyde, 2,4-dimethoxy-

Property	Value
InChI2D key string chemrof:inchi2d_key_string	LWRSYTXEQUUTKW-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C9H10O3/c1-11-8-4-3-7(6-10)9(5-8)12-2/h3-6H,1-2H3
IUPAC name chemrof:IUPAC_name	2,4-dimethoxybenzaldehyde
Molecular formula chemrof:molecular_formula	C9H10O3
Molecular mass chemrof:molecular_mass	166.176
Monoisotopic mass chemrof:monoisotopic_mass	166.062994
SMILES string chemrof:smiles_string	COc1ccc(C=O)c(OC)c1

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=613-45-6	enrich_references.pubchem_identifier_url
ChEBI	https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:228972	enrich_references.pubchem_identifier_url
chem.echa.europa.eu	https://chem.echa.europa.eu/100.009.404	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID3022081	enrich_references.pubchem_identifier_url
dtp.cancer.gov	https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=27023	enrich_references.pubchem_identifier_url
ebi.ac.uk	https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL234216	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/MM3U32AQ5F	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J79.736G	enrich_references.pubchem_identifier_url
metabolomicsworkbench.org	https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=128374	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/69175	enrich_references.pubchem_compound
Wikidata	https://www.wikidata.org/wiki/Q4596778	enrich_references.pubchem_identifier_url
Wikipedia	https://en.wikipedia.org/wiki/2,4-Dimethoxybenzaldehyde	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
e440f913-4e3b-4390-bf9f-e739d5f7bd72	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
3c381685-5519-4af8-b90e-7375273bd71b	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
85bef1cf-c406-4d0d-9cba-545fe15d944a	Environmental → Air → Indoor	EF 3.1	kg	2
8403239f-6541-4013-8561-1a75748008cf	Environmental → Air → Long-term	EF 3.1	kg	0
087740f9-1768-43fd-971d-aaeb79c5f33a	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
f049dc33-d116-4353-a413-38f00196879c	Environmental → Air → Unknown	EF 3.1	kg	2
1b31064b-3a7a-4bc0-8410-39555870e632	Environmental → Ground → Agricultural	EF 3.1	kg	2
8a17bd6b-3e26-4aeb-832e-c79c5d4a6113	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
03e5e83d-ad8d-44b5-8053-0816e8a4ae40	Environmental → Ground → Unknown	EF 3.1	kg	2
0ec17312-1001-46ca-b6e3-908149368322	Environmental → Water → Long-term	EF 3.1	kg	0
ffd42653-3ade-47bf-b72a-8c07d24e5493	Environmental → Water → Ocean	EF 3.1	kg	2
e4a68fcd-dbcc-472e-95c6-242141edadb5	Environmental → Water → Surface water	EF 3.1	kg	2
a01bbf97-f7e5-4089-b23b-f2bf711336e9	Environmental → Water → Unknown	EF 3.1	kg	2

Everything that changed this substance (55 changes)

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Flow object JSON

{
  "flow_object_id": "fo-cb0420fe82f0fe33",
  "prefLabel": [
    {
      "@value": "2,4-dimethoxybenzaldehyde",
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  ],
  "altLabel": [
    {
      "@value": "Benzaldehyde, 2,4-dimethoxy-",
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2,4-dimethoxybenzaldehyde

Identity

Structure

Alternative labels

Properties

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Elementary flows

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