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酮麝香 | 81-14-1

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中文名称：酮麝香

英文名称： Musk ketone

CAS No.： 81-14-1

分子式： C₁₄H₁₈N₂O₅

分子量： 294.303123950958

如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击：酮麝香结构式

MSDS：酮麝香MSDS

PubChem CID： 57651781

价格行情：酮麝香价格

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酮麝香的其他展现形式

相关化合物

1-(2,4-二甲基-5-硝基苯基)乙酮

1-(2,4-Dimethyl-5-nitrophenyl)ethanone

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1-Propanone, 1-[2-(1,1-dimethylethyl)-4,6-dimethyl-3,5-dinitrophenyl]-

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Benzaldehyde, 4-(1,1-dimethylethyl)-2,6-dimethyl-3,5-dinitro-

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CAS No.：7498-52-4
Ethanone, 1-[3-amino-4-(1,1-dimethylethyl)-2,6-dimethyl-5-nitrophenyl]-

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简介

Musk ketone (MK) 是一种应用广泛的人工香料。Musk ketone 对 Hep G2 细胞具有致突变性和致伤性作用，通过激活 PI3K/Akt 信号通路诱导神经干细胞在脑缺血时增殖分化。 Musk ketone 通过抑制细胞凋亡 (apoptosis) 对脑卒中损伤起到神经保护作用。

名称和标识符

MDL	MFCD00024271
InChIKey	WXCMHFPAUCOJIG-UHFFFAOYSA-N
Inchi	1S/C14H18N2O5/c1-7-10(9(3)17)8(2)13(16(20)21)11(14(4,5)6)12(7)15(18)19/h1-6H3
SMILES	O=C(C)C1C(C)=C([N+](=O)[O-])C(C(C)(C)C)=C([N+](=O)[O-])C=1C

别名信息

- 中文别名 -

4-叔丁基-2,6-二甲基-3,5-二硝基苯乙酮
4'-叔丁基-2',6'-二甲基-3',5'-二硝基苯乙酮
麝香酮
酮麝香
4-三級丁-2,6-二甲-3,5-二硝苯乙酮

Musk ketone 酮麝香标准品
合成麝香酮
酮麝香标准品
1-[4-(1,1-二甲基乙基)-2,6-二甲基-3,5-二硝基苯基]乙酮
2,6-二甲基-3,5-二硝基-4-叔丁基苯乙酮
2,6-二硝-3,5-二甲-4-乙醯三級丁苯
3,5-二硝基-2,6-二甲基-4-叔丁基苯乙酮
3-甲基环十五烷酮
合成酮麝香
人造麝香酮
(酮麝香)4-叔丁基-2,6-二甲基-3,5-二硝基苯乙酮

- 英文别名 -

4-tert-butyl-2,6-dimethyl-3,5-dinitroacetophenone
4'-tert-butyl-2',6'-dimethyl-3',5'-dinitroacetophenone
1-(4-tert-butyl-2,6-dimethyl-3,5-dinitrophenyl)ethanone
Ketone Moschus
musk ketone

1-tert-butyl-3,5-dimethyl-2,6-dinitro-4-acetylbenzene
3,5-dinitro-2,6-dimethyl-4-t-butylacetophenone
3-METHYLCYCLOPENTADECANONE (D,L-MUSCONE)
4-acetyl-1-tert-butyl-3,5-dimethyl-2-nitro-6-aminobenzene
4'-tert-butyl-2',6'-dimethyl-3',5'
4-tert-butyl-3,5-dinitro-2,6-dimethyl-acetophenone
Acetyl-dinitro-butyl-xylene
Dinitro-tert-butylxylyl methyl ketone
Musk ketone1000µg
Synthetic Muscone
1-[4-(1,1-dimethylethyl)-2,6-dimethyl-3,5-dinitrophenyl]ethanone
2',6'-Dimethyl-3',5'-dinitro-4'-tert-butylacetophenone
Ketone musk
2-Acetyl-5-tert-butyl-4,6-dinitroxylene
4-tert-Butyl-3,5-dinitro-2,6-dimethylacetophenone
2,6-Dinitro-3,5-dimethyl-4-acetyl-tert-butylbenzene
Acetophenone, 4'-tert-butyl-2',6'-dimethyl-3',5'-dinitro-
2,6-Dimethyl-3,5-dinitro-4-t-butylacetophenone
3,5-Dinitro-2,6-dimethyl-4-tert-butylacetophenone
Ethanone, 1-[4-(1,1
4'-tert-Butyl-2',6'-dimethyl-3',5'-dinitroacetophenone
Musk ketone
1-[4-(1,1-Dimethylethyl)-2,6-dimethyl-3,5-dinitrophenyl]ethanone (ACI)
Acetophenone, 4′-tert-butyl-2′,6′-dimethyl-3′,5′-dinitro- (6CI, 7CI, 8CI)
1-(4-(tert-Butyl)-2,6-dimethyl-3,5-dinitrophenyl)ethan-1-one
1-(4-tert-Butyl-2,6-dimethyl-3,5-dinitrophenyl)ethan-1-one
1-(4-tert-Butyl-2,6-dimethyl-3,5-dinitrophenyl)ethanone
1-tert-Butyl-3,5-dimethyl-2,6-dinitro-4-acetylbenzene
2,6 Dimethyl-4-tert-butyl-3,5-dinitroacetophenone
2,6-Dimethyl-3,5-dinitro-4-tert-butyl acetophenone
3,5-Dinitro-4-tert-butyl-2,6-dimethylacetophenone
4-Aceto-3,5-dimethyl-2,6-dinitro-tert-butylbenzene
4-tert-Butyl-2,6-dimethyl-3,5-dinitroacetophenone
4′-tert-Butyl-2′,6′-dimethyl-3′,5′-dinitroacetophenone
NSC 15339

物化性质

实验特性

LogP	4.66630
PSA	108.71000
折射率	1.5110 (estimate)
水溶性	不溶 (<0.1 g/100 mL at 20 ºC)
沸点	436.08°C (rough estimate)
熔点	134-137 °C
蒸气压	3.00X10-7 mm Hg at 25 °C
闪点	华氏：>334.4 °F 摄氏：>168 °C
溶解度	Insoluble (<1 mg/ml at 68.0° F) (NTP, 1992)
浓度	100 μg/mL in acetonitrile
颜色与性状	淡黄色片状结晶。类似天然麝香香气。
稳定性	Stable. Incompatible with strong oxidizing agents, strong acids, strong bases.
密度	1.2051 (rough estimate)
气味	Sweet, very persistent, slightly animal musk odor

计算特性

精确分子量	294.12200
氢键供体数量	0
氢键受体数量	5
可旋转化学键数量	2
同位素质量	294.121572
重原子数量	21
复杂度	418
同位素原子数量	0
确定原子立构中心数量	0
不确定原子立构中心数量	0
确定化学键立构中心数量	0
不确定化学键立构中心数量	0
共价键单元数量	1
疏水参数计算参考值（XlogP）	3.7
互变异构体数量	2
表面电荷	0
拓扑分子极性表面积	109
分子量	294.30

安全信息

符号：	GHS08 GHS09
RTECS号	KM5775841
WGK Germany	2
安全说明	S16-S36/37
风险术语	R11
危险品标志	F Xn
危险品运输编号	UN1648 3/PG 2
危害声明	H351-H410
警示性声明	P273-P281-P501
储存条件	2-8°C
危险类别码	40-50/53
信号词	Warning

国际标准相关数据

EINECS	15339

合成路线

合成路线：1 步

2040-10-0

_40%

81-14-1

71850-77-6

反应条件：

1.1 Reagents: Nitrogen dioxide Solvents: Hexane
1.2 Reagents: Oxygen , Ozone
1.3 Reagents: Water

参考文献：

Non-acid synthesis of nitro musks based on the ozone-mediated nitration using nitrogen dioxide

Suzuki, Hitomi; et al, Synthesis, 1999, (8), 1291-1293

合成路线：1 步

2040-10-0

_55%

81-14-1

157429-07-7

71850-77-6

反应条件：

1.1 Reagents: Sulfuric acid , Nitric acid Solvents: Dichloromethane
1.2 Reagents: Water

参考文献：

Non-acid synthesis of nitro musks based on the ozone-mediated nitration using nitrogen dioxide

Suzuki, Hitomi; et al, Synthesis, 1999, (8), 1291-1293

相关文献

1. Urban sources of synthetic musk compounds to the environment
Fiona Wong,Matthew Robson,Lisa Melymuk,Chubashini Shunthirasingham,Nick Alexandrou,Mahiba Shoeib,Edmund Luk,Paul Helm,Miriam?L. Diamond,Hayley Hung Environ. Sci.: Processes Impacts 2019 21 74
2. Detection of domestic-use chemicals in urban storm drains during dry days in a separated sewer area
Noriatsu Ozaki,Makoto Funaki,Tomonori Kindaichi,Akiyoshi Ohashi Environ. Sci.: Water Res. Technol. 2023 9 1342
3. Amperometric detection at carbon felt electrodes. Application to the determination of nitro musk derivatives and phenolic endocrine disruptors
Lourdes Agüí,Verónica Serafín,Paloma Yá?ez-Sede?o,José M. Pingarrón Anal. Methods 2010 2 499
4. Development of predictive models for silicone rubber–water partition coefficients of hydrophobic organic contaminants
Huichao Sun,Xianhai Yang,Xuehua Li,Xiaochen Jin Environ. Sci.: Processes Impacts 2019 21 2020
5. Development and validation of a multi-residue method for the simultaneous analysis of brominated and organophosphate flame retardants, organochlorine pesticides, and polycyclic aromatic compounds in household dust
Wenrui Zhang,Yonghui Wang,Meilu Hao,Biao Kong,Peng Liang,Yan Yang,Shengtao Ma Anal. Methods 2021 13 4623
6. Incorporating environmental attributes into musk design
Robert S. Boethling Green Chem. 2011 13 3386
7. Solid-phase microextraction using a β-ketoenamine-linked covalent organic framework coating for efficient enrichment of synthetic musks in water samples
Lian Wen,Peng Wu,Lei-Lei Wang,Li-Zong Chen,Ming-Lin Wang,Xia Wang,Jin-Ming Lin,Ru-Song Zhao Anal. Methods 2020 12 2434
8. Pharmaceutical and personal care products in sewage treatment works
Rakesh Kanda,Paul Griffin,Huw A. James,James Fothergill J. Environ. Monit. 2003 5 823
9. Determination of synthetic musk compounds in sewage biosolids by gas chromatography/mass spectrometry
Lantis I. Osemwengie J. Environ. Monit. 2006 8 897
10. Current trends on microextraction by packed sorbent – fundamentals, application fields, innovative improvements and future applications
Jorge A. M. Pereira,Jo?o Gon?alves,Priscilla Porto-Figueira,José A. Figueira,Vera Alves,Rosa Perestrelo,Sonia Medina,José S. Camara Analyst 2019 144 5048

专业数据库参考

PubChemId	57651781

参考资料

Beilstein	2062638

酮麝香 | 81-14-1

合成路线：1 步

合成路线：1 步

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