WHC is still in active development. Read this to understand our approach.
depiction of FXLOVSHXALFLKQ-UHFFFAOYSA-N.svg
isomerdesign

4-Me-BAL

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pubchem

4-Methylbenzaldehyde

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Data

InChI: InChI=1S/C8H8O/c1-7-2-4-8(6-9)5-3-7/h2-6H,1H3

Synonyms: DTXSID9041520,EINECS 203-246-9,p-4-methylbenzaldehyde,TOLUALDEHYDE, P-,BDBM50159265,4-Toluicaldehyde,Benzaldehyde, 4-methyl-,P-TOLUALDEHYDE [FCC],p-methyl benzaldehyde,104-87-0,4-methylbenzaldehyde;p-Tolualdehyde,AC-16956,A801081,GAX22QZ28Q,Z104477698,Paratolualdehyde,FT-0652962,p-Methylbenzaldehyde,MFCD00006954,DSSTox_GSID_41520,p-Tolualdehyde, >=97%, FG,para-tolyl aldehyde,4-Toluylaldehyde,CCRIS 2942,p-Tolualdehyde, 97%,W-108803,HY-W012860,NCGC00357225-01,PS-5663,p-Tolualdehyde, c,para-Toluyl aldehyde,p-Tolylaldehyde,p-Toluylaldehyde,AI3-24380,CAS-104-87-0,4-METHYLBENZALDEHYDE [INCI],p-toluic aldehyde,4-Methyl-Benzaldehyde,NSC2224,FEMA NO. 3068, P-,DB-003768,4-Me-BAL,EN300-20307,bmse000527,T1073,CS-W013576,p-Tolylmethanone,4-methyl benzaldehyde,ZINC896404,AKOS000119345,PTAL,p-Tolualdehyde, analytical standard,4-METHYLBENZALDEHYDE,para-Tolualdehyde,C06758,T0259,4-Tolualdehyde,CHEBI:28617,PARA TOLUALDEHYDE,2,2,5,5-TETRACHLOROBENZOPHENONE,STL194064,NSC 2224,CHEMBL190927,Tox21_304012,4-Methylbenzaldehyde,P-Tolualdehyde, 99+% (GC),p-Tolualdehyde, Vetec(TM) reagent grade, 97%,SCHEMBL29171,p-tolyl-methanone,F2190-0585,OZAGREL SODIUM IMPURITY 19,p-tolu-aldehyde,para-Methylbenzaldehyde,p-tolyl aldehyde,p-Tolualdehyde,p-Formyltoluene,NSC-2224,HSDB 5361,DSSTox_CID_21520,Q3266675,UNII-GAX22QZ28Q,4-METHYLBENZALDEHYDE [HSDB],p-toluenealdehyde

Estimated data

Solubility: -1.331 (log(S) in mol/L prediction using SolTranNet)

Blood Brain Barrier Permeability: Yes (prediction using frontiersin.org)

Addictivity Prediction: 62.5% (prediction based on www.mdpi.com)

Similarities

The following is a set of comparisons to understand the properties of this compound. This is still higly experimental and is still under active development. Please refer to our series of blog posts to fully understand our approach and its limitations. This information is for informational purposes only and should not be construed as medical advice.