80-54-6 | 3-(4-tert-Butylphenyl)isobutyraldehyde

Packsize	Purity	Availability	Price	Discounted Price
1g	97%	in stock	$13.00	$9.00
5g	97%	in stock	$15.00	$10.00
25g	98%	in stock	$34.00	$24.00
100g	98%	in stock	$74.00	$52.00
500g	98%	in stock	$251.00	$176.00

Description

• Catalog Number: AE01959
• Chemical Name: 3-(4-tert-Butylphenyl)isobutyraldehyde
• CAS Number: 80-54-6
• Molecular Formula: C14H20O
• Molecular Weight: 204.3080
• MDL Number: MFCD00047655
• SMILES: O=CC(Cc1ccc(cc1)C(C)(C)C)C
• NSC Number: 22275

Computed Properties

• Complexity: 194
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 15
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Undefined Atom Stereocenter Count: 1
• XLogP3: 3.9

Literature

• An in vitro skin sensitization assay termed EpiSensA for broad sets of chemicals including lipophilic chemicals and pre/pro-haptens.

  Toxicology in vitro : an international journal published in association with BIBRA 20170401

• SENS-IS, a 3D reconstituted epidermis based model for quantifying chemical sensitization potency: Reproducibility and predictivity results from an inter-laboratory study.

  Toxicology in vitro : an international journal published in association with BIBRA 20160401

• Phosphoinositide 3-kinase-dependent antagonism in mammalian olfactory receptor neurons.

  The Journal of neuroscience : the official journal of the Society for Neuroscience 20110105

• 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

• Determination of suspected allergens in cosmetic products by headspace-programmed temperature vaporization-fast gas chromatography-quadrupole mass spectrometry.

  Analytical and bioanalytical chemistry 20100701

• Quantitative determination of some volatile suspected allergens in cosmetic creams spread on skin by direct contact sorptive tape extraction-gas chromatography-mass spectrometry.

  Journal of chromatography. A 20100416

• 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