04688
3-乙基苯酚
≥95.0% (GC)
别名:
m-Ethylphenol, m-Hydroxyethylbenzene
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关于此项目
线性分子式:
C2H5C6H4OH
化学文摘社编号:
分子量:
122.16
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
210-627-3
Beilstein/REAXYS Number:
1857002
MDL number:
产品名称
3-乙基苯酚, ≥95.0% (GC)
InChI key
HMNKTRSOROOSPP-UHFFFAOYSA-N
InChI
1S/C8H10O/c1-2-7-4-3-5-8(9)6-7/h3-6,9H,2H2,1H3
SMILES string
CCc1cccc(O)c1
assay
≥95.0% (GC)
form
liquid
refractive index
n20/D 1.533 (lit.)
n20/D 1.534
density
1.001 g/mL at 25 °C (lit.)
Quality Level
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Application
- 农产品风味分析：3-乙基苯酚被鉴定为枸杞果浆的主要风味成分，它具有增强食品感官性的作用。体现其香精香料行业应用价值，对消费品开发有借鉴作用(Wang et al., 2024)。
- 生物炼制和木质素高值化利用：3-乙基苯酚用于稻草木质素解聚成为增值化学品。体现其在可持续性化学工艺和生物炼制行业开发中的作用(Tran et al., 2022)。
General description
3-乙基酚是一种芳香族酚类化合物。它主要用于商业酚醛树脂的生产。此外，3-乙基酚还被用作有机合成的中间体来制备各种酚类化合物。
signalword
Warning
Hazard Classifications
Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
存储类别
10 - Combustible liquids
wgk
WGK 3
flash_point_f
201.2 °F - closed cup
flash_point_c
94 °C - closed cup
ppe
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Cynthia D Selassie et al.
Journal of medicinal chemistry, 48(23), 7234-7242 (2005-11-11)
In this comprehensive study on the caspase-mediated apoptosis-inducing effect of 51 substituted phenols in a murine leukemia cell line (L1210), we determined the concentrations needed to induce caspase activity by 50% (I50) and utilized these data to develop the following
Alfonso Pérez-Garrido et al.
Bioorganic & medicinal chemistry, 17(2), 896-904 (2008-12-06)
This paper reports a QSAR study for predicting the complexation of a large and heterogeneous variety of substances (233 organic compounds) with beta-cyclodextrins (beta-CDs). Several different theoretical molecular descriptors, calculated solely from the molecular structure of the compounds under investigation
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