所有图片(1)
别名:
3-Propylidene-1(3H)-isobenzofuranone
经验公式（希尔记法）:
C11H10O2
CAS号:
分子量:
174.20
EC 号:
MDL编号:
UNSPSC代码:
85151701
PubChem化学物质编号:
NACRES:
NA.24
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等级
analytical standard
质量水平
检测方案
≥97.0% (sum of isomers, GC)
保质期
limited shelf life, expiry date on the label
折射率
n20/D 1.579-1.590
n20/D 1.586 (lit.)
bp
170 °C/12 mmHg (lit.)
mp
5 °C (lit.)
密度
1.122 g/mL at 25 °C (lit.)
应用
cleaning products
cosmetics
flavors and fragrances
food and beverages
personal care
格式
neat
储存温度
2-8°C
SMILES字符串
CC\C=C1/OC(=O)c2ccccc12
InChI
1S/C11H10O2/c1-2-5-10-8-6-3-4-7-9(8)11(12)13-10/h3-7H,2H2,1H3/b10-5-
InChI key
NGSZDVVHIGAMOJ-YHYXMXQVSA-N
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一般描述
3-Propylidenephthalide, a substituted alkyldenephthalide, is a flavoring ingredient. It is typically added as a food additive. 3-Propylidenephthalide belongs to chemical group 11, called ‘alicyclic and aromatic lactones′.
应用
3-Propylidenephthalide may be used as an analytical standard for the determination of the analyte in cosmetics and personal care products, tobacco products, and biological samples by various chromatography techniques.
分析说明
remarks on GC: main isomer ≥97%
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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.
警示用语：
Warning
危险声明
危险分类
Acute Tox. 4 Oral - Skin Sens. 1B
WGK
WGK 3
闪点(°F)
235.4 °F
闪点(°C)
113 °C
Prediction of skin sensitization potency sub-categories using peptide reactivity data
Wareing B, et al.
Toxicology in vitro, 45(2), 134-145 (2017)
The survey of analytical methods for sample preparation and analysis of fragrances in cosmetics and personal care products
Abedi G, et al.
TrAC, Trends in Analytical Chemistry, 102, 41-59 (2018)
Comparative sensitizing potencies of fragrances, preservatives, and hair dyes
Liden C, et al.
Contact Dermatitis, 75(5), 265-275 (2016)
Data integration of non-animal tests for the development of a test battery to predict the skin sensitizing potential and potency of chemicals
Nukada Y, et al.
Toxicology in vitro, 27(2), 609-618 (2013)
An overview of the effects of tobacco ingredients on smoke chemistry and toxicity
Baker RR, et al.
Food And Chemical Toxicology, 42(2), 53-83 (2004)
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