43884

2-(4-tert.-Butylbenzyl)-propionaldehyd

analytical standard

• Synonym(e): 4-tert.-Butyl-α-methyl-benzolpropanal, 4-tert.-Butyl-α-methyl-hydrozimtaldehyd, Butylphenyl methylpropional, Lilial
• Empirische Formel (Hill-System): C₁₄H₂₀O
• CAS-Nummer: 80-54-6
• Molekulargewicht: 204.31
• UNSPSC Code: 85151701
• NACRES: NA.24
• PubChem Substance ID: 329756419
• EC Number: 201-289-8
• Beilstein/REAXYS Number: 880140
• MDL number: MFCD00047655

Eigenschaften

• grade: analytical standard
• Quality Segment: 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

Beschreibung

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.

This compound is listed in the SVHC (Substances of very high concern) candidate list of ECHA (European Chemicals Agency)

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.

Analysis Note

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

Other Notes

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.

Sicherheitshinweise

• 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
• Lagerklasse: 6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
• wgk: WGK 3
• flash_point_f: 174.2 °F - closed cup
• flash_point_c: 79 °C - closed cup