43884

2-(4-tert-Butylbenzyl)propionaldehyde

analytical standard

• Synonym(s): 4-tert-Butyl-α-methyl-benzenepropanal, 4-tert-Butyl-α-methyl-hydrocinnamaldehyde, Butylphenyl methylpropional, Lilial
• Empirical Formula (Hill Notation): C₁₄H₂₀O
• CAS Number: 80-54-6
• Molecular Weight: 204.31
• Beilstein/REAXYS Number: 880140
• EC Number: 201-289-8
• MDL number: MFCD00047655
• UNSPSC Code: 85151701
• PubChem Substance ID: 329756419
• NACRES: NA.24

Properties

• grade: analytical standard
• Quality Level: 100
• assay: ≥96.0% (GC)
• shelf life: limited shelf life, expiry date on the label
• impurities: ≤0.3% water
• refractive index: n20/D 1.504-1.506
• density: 0.946 g/mL at 20 °C (lit.)
• application(s): cleaning products; cosmetics; food and beverages; personal care
• format: neat
• storage temp.: 2-8°C
• SMILES string: [H]C(=O)C(C)Cc1ccc(cc1)C(C)(C)C
• 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

Description

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.[1]

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.[2]
• Deodorants[3] and air fresheners[4] 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.[5]

Analysis Note

contains ~ 0.01 % stabilizer (Pyridine/MEHQ : 1/20)

Recommended products

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Safety Information

• pictograms: GHS08,GHS07
• signalword: Danger
• hcodes: H302,H315,H317,H360FD,H412
• pcodes: P202 - P273 - P280 - P301 + P312 - P302 + P352 - P308 + P313
• Hazard Classifications: Acute Tox. 4 Oral - Aquatic Chronic 3 - Repr. 1B - Skin Irrit. 2 - Skin Sens. 1
• Storage Class: 6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
• wgk_germany: WGK 3
• flash_point_f: 174.2 °F - closed cup
• flash_point_c: 79 °C - closed cup