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2-(4-tert-Butylbenzyl)propionaldehyde

SIAL/43884 - analytical standard

Synonym: 4-tert-Butyl-α-methyl-benzenepropanal; 4-tert-Butyl-α-methyl-hydrocinnamaldehyde; Butylphenyl methylpropional; Lilial

CAS Number: 80-54-6
Empirical Formula (Hill Notation): C14H20O
Molecular Weight: 204.31
EC Number: 201-289-8
MDL Number: MFCD00047655
Linear Formula: C14H20O
Product Type: Chemical
Catalog Number PKG Qty. Price Quantity
45-43884-10MG 10 mg
 $69.10
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application(s) cleaning products
cosmetics
food and beverages
personal care
assay ≥96.0% (GC)
density 0.946 g/mL at 20 °C (lit.)
format neat
grade analytical standard
impurities ≤0.3% water
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
Quality Level 100 
refractive index n20/D 1.504-1.506
shelf life limited shelf life, expiry date on the label
SMILES string [H]C(=O)C(C)Cc1ccc(cc1)C(C)(C)C
storage temp. 2-8°C
Analysis Note: contains ~ 0.01 % stabilizer (Pyridine/MEHQ : 1/20)
Application: 2-(4-tert-Butylbenzyl)propionaldehyde may be used as a reference standard for the determination of 2-(4-tert-butylbenzyl)propionaldehyde in:
• Human urine samples by ultra-high performance liquid chromatography-tandem mass spectrometry (UHPLC-MS/MS) equipped with electrospray ionization (ESI) source and multiple reaction monitoring (MRM) mode of detection.
• Deodorants and air fresheners by sonication extraction coupled with gas chromatography-mass spectrometry (GC-MS).
• Scented consumer products by GC-MS as well as GC in combination with olfactometry.
General description: 2-(4-tert-Butylbenzyl)propionaldehyde is categorized under the synthetic fragrance class of compounds widely utilized in consumer products such as perfumes, after shave lotions, cosmetics, etc.
Recommended products: Find a digital Reference Material for this product available on our online platform ChemisTwin®  for NMR. You can use this digital equivalent on ChemisTwin®  for your sample identity confirmation and compound quantification (with digital external standard). An NMR spectrum of this substance can be viewed and an online comparison against your sample can be performed with a few mouseclicks. Learn more here  and start your free trial .
Purity ≥96.0% (GC)
Density 0.946 g/mL at 20 °C (lit.)
Refractive Index n20/D 1.504-1.506
Storage Temp. 2-8°C
UNSPSC 85151701

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