Merck
CN
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文件

43884

Supelco

2-(4-叔丁基苄基)丙醛

analytical standard

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别名:
α-甲基对叔丁基苯丙醛, 铃兰醛
经验公式（希尔记法）:
C14H20O
CAS号:
80-54-6
分子量:
204.31
Beilstein:
880140
EC 号:
201-289-8
MDL编号:
MFCD00047655
PubChem化学物质编号:
329756419
NACRES:
NA.24

等级

analytical standard

质量水平

100

检测方案

≥96.0% (GC)

保质期

limited shelf life, expiry date on the label

杂质

≤0.3% water

折射率

n20/D 1.504-1.506

密度

0.946 g/mL at 20 °C (lit.)

application(s)

cleaning products
cosmetics
food and beverages
personal care

格式

neat

储存温度

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

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相关类别

一般描述

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.

应用

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.

分析说明

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

推荐产品

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.

象形图

Exclamation markHealth hazard
GHS07,GHS08

警示用语：

Danger

危险分类

Acute Tox. 4 Oral - Aquatic Chronic 3 - Repr. 1B - Skin Irrit. 2 - Skin Sens. 1

储存分类代码

6.1C - Combustible, acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

WGK

WGK 3

闪点(°F)

174.2 °F - closed cup

闪点(°C)

79 °C - closed cup

分析证书(COA)

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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)
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)
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)
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)

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