4-(butoxymethyl)-2-methoxyphenol

Hotact VBE
Phenol, 4-(butoxymethyl)-2-methoxy-
Sensehot
Vanillyl alcohol butyl ether
Vanillyl alcohol n-butyl ether
Vanillyl butyl ether

Property	Value
InChI2D key string chemrof:inchi2d_key_string	VLDFMKOUUQYFGF-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C12H18O3/c1-3-4-7-15-9-10-5-6-11(13)12(8-10)14-2/h5-6,8,13H,3-4,7,9H2,1-2H3
IUPAC name chemrof:IUPAC_name	4-(butoxymethyl)-2-methoxy-phenol, 4-(butoxymethyl)-2-methoxyphenol
Molecular formula chemrof:molecular_formula	C12H18O3
Molecular mass chemrof:molecular_mass	210.273
Monoisotopic mass chemrof:monoisotopic_mass	210.125594
SMILES string chemrof:smiles_string	CCCCOCC1=CC(=C(C=C1)O)OC

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=82654-98-6	enrich_references.pubchem_identifier_url
chem.echa.europa.eu	https://chem.echa.europa.eu/100.103.929	enrich_references.pubchem_identifier_url
chem.echa.europa.eu	https://chem.echa.europa.eu/100.128.708	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID2072881	enrich_references.pubchem_identifier_url
drugbank.ca	https://www.drugbank.ca/drugs/DB11299	enrich_references.pubchem_identifier_url
femaflavor.org	https://www.femaflavor.org/flavor-library/vanillyl-butyl-ether	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/S2ULN37C9R	enrich_references.pubchem_identifier_url
HMDB	https://hmdb.ca/metabolites/HMDB0037642	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J60.915C	enrich_references.pubchem_identifier_url
metabolomicsworkbench.org	https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=47858	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/5084146	enrich_references.pubchem_compound
rxnav.nlm.nih.gov	https://rxnav.nlm.nih.gov/id/rxnorm/1313189	enrich_references.pubchem_identifier_url
Wikidata	https://www.wikidata.org/wiki/Q27288504	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
db91d299-41cc-45d9-9768-756f786516f0	Environmental → Air → Aircraft cruise height	EF 3.1	kg	4
dc568508-2919-406b-92cf-47bf9652c89c	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	4
d38fbdc3-a04e-423e-8f88-48672f5b8eb5	Environmental → Air → Indoor	EF 3.1	kg	4
7a6a37cf-9579-4e35-a220-120730145fb3	Environmental → Air → Long-term	EF 3.1	kg	0
7e29f86b-829a-4153-999b-cb3b8a511820	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	4
8c870a95-ec25-413e-bfd9-cd8d502f91e1	Environmental → Air → Unknown	EF 3.1	kg	4
8e439d9d-2695-487a-9fef-7413ab0afac2	Environmental → Ground → Agricultural	EF 3.1	kg	4
9a8e2826-07c2-42b9-8c83-d7b5ec37a8ed	Environmental → Ground → Non-agricultural	EF 3.1	kg	4
4b9b4efd-5d2a-4853-a14a-bcc6bea2b2c6	Environmental → Ground → Unknown	EF 3.1	kg	4
0fd0784f-ae6c-4086-8dd7-ef568bd655a4	Environmental → Water → Long-term	EF 3.1	kg	0
64779802-af77-4abc-8ca6-25048f9ab6ae	Environmental → Water → Ocean	EF 3.1	kg	4
2183e63e-d189-461d-bcd9-56478a42ddfc	Environmental → Water → Surface water	EF 3.1	kg	4
049cd914-89bd-4868-aedc-231cb34a59bd	Environmental → Water → Unknown	EF 3.1	kg	4

Everything that changed this substance (53 changes)

Open the changes page

Flow object JSON

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  ]
}

You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works

4-(butoxymethyl)-2-methoxyphenol

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

History

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