43884
2-(4-叔丁基苄基)丙醛
analytical standard
别名:
α-甲基对叔丁基苯丙醛, 铃兰醛
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经验公式（希尔记法）:
C14H20O
化学文摘社编号:
分子量:
204.31
UNSPSC Code:
85151701
NACRES:
NA.24
PubChem Substance ID:
EC Number:
201-289-8
Beilstein/REAXYS Number:
880140
MDL number:
产品名称
2-(4-叔丁基苄基)丙醛, analytical standard
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
grade
analytical standard
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
Quality Level
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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.
This compound is listed in the SVHC (Substances of very high concern) candidate list of ECHA (European Chemicals Agency)
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.
signalword
Danger
Hazard Classifications
Acute Tox. 4 Oral - Aquatic Chronic 3 - Repr. 1B - Skin Irrit. 2 - Skin Sens. 1
存储类别
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
Risk assessment to human health: Consumer exposure to ingredients in air fresheners.
Kim JH, et al.
Regulatory Toxicology and Pharmacology, 625(21), 1369-1379 (2018)
Health risk assessment of dermal and inhalation exposure to deodorants in Korea.
Kim JH, et al.
The Science of the Total Environment, 625(21), 1369-1379 (2018)
Human metabolism and excretion kinetics of the fragrance lysmeral after a single oral dosage.
Scherer M, et al.
International Journal of Hygiene and Environmental Health, 220(2), 123-129 (2017)
Analysis of odour compounds from scented consumer products using gas chromatography-mass spectrometry and gas chromatography-olfactometry.
Bartsch J, et al.
Analytica Chimica Acta, 904(21), 98-106 (2016)
A liquid chromatography-tandem mass spectrometry (LC-MS/MS) method for the human biomonitoring of non-occupational exposure to the fragrance 2-(4-tert-butylbenzyl) propionaldehyde (lysmeral).
Pluym N, et al.
Analytical and Bioanalytical Chemistry, 408(21), 5873-5882 (2016)
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