Home Aldehydes 3-(4-tert-Butylphenyl)isobutyraldehyde

3-(4-tert-Butylphenyl)isobutyraldehyde

CAS No.:
80-54-6
Catalog Number:
AG008MB3
Molecular Formula:
C14H20O
Molecular Weight:
204.3080
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
98%
In Stock USA
United States
$13
- +
25g
98%
In Stock USA
United States
$19
- +
100g
98%
In Stock USA
United States
$50
- +
500g
98%
In Stock USA
United States
$188
- +
Product Description
Catalog Number:
AG008MB3
Chemical Name:
3-(4-tert-Butylphenyl)isobutyraldehyde
CAS Number:
80-54-6
Molecular Formula:
C14H20O
Molecular Weight:
204.3080
MDL Number:
MFCD00047655
IUPAC Name:
3-(4-tert-butylphenyl)-2-methylpropanal
InChI:
InChI=1S/C14H20O/c1-11(10-15)9-12-5-7-13(8-6-12)14(2,3)4/h5-8,10-11H,9H2,1-4H3
InChI Key:
SDQFDHOLCGWZPU-UHFFFAOYSA-N
SMILES:
O=CC(Cc1ccc(cc1)C(C)(C)C)C
EC Number:
201-289-8
NSC Number:
22275
Properties
Complexity:
194  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.151g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.313g/mol
Monoisotopic Mass:
204.151g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9  
Literature
Title Journal
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Olfactory sensitivity for sperm-attractant aromatic aldehydes: a comparative study in human subjects and spider monkeys. Journal of comparative physiology. A, Neuroethology, sensory, neural, and behavioral physiology 20110101
Bioreduction of alpha-methylcinnamaldehyde derivatives: chemo-enzymatic asymmetric synthesis of Lilial and Helional. Dalton transactions (Cambridge, England : 2003) 20100928
Sorbent trapping solid-phase microextraction of fragrance allergens in indoor air. Journal of chromatography. A 20100813
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Chemoreception regulates chemical access to mouse vomeronasal organ: role of solitary chemosensory cells. PloS one 20100101
Oestrogenic activity of benzyl salicylate, benzyl benzoate and butylphenylmethylpropional (Lilial) in MCF7 human breast cancer cells in vitro. Journal of applied toxicology : JAT 20090701
Polyvalent type IV sensitizations to multiple fragrances and a skin protection cream in a metal worker. Journal der Deutschen Dermatologischen Gesellschaft = Journal of the German Society of Dermatology : JDDG 20090601
HMOX1 and NQO1 genes are upregulated in response to contact sensitizers in dendritic cells and THP-1 cell line: role of the Keap1/Nrf2 pathway. Toxicological sciences : an official journal of the Society of Toxicology 20090201
Sensitization to 26 fragrances to be labelled according to current European regulation. Results of the IVDK and review of the literature. Contact dermatitis 20070701
Prediction of perception: probing the hOR17-4 olfactory receptor model with silicon analogues of bourgeonal and lilial. Angewandte Chemie (International ed. in English) 20070101
Ethanol and diethyl phthalate: vehicle effects in the local lymph node assay. International journal of toxicology 20040101
A psychophysical study of the relationship between temporal processing in odor mixtures and transduction pathways. Brain research. Cognitive brain research 20011001
Properties