2,4,6-三甲基二苯甲酮

• 常用名: 2,4,6-三甲基二苯甲酮
• 英文名: Mesityl(phenyl)methanone
• CAS号: 954-16-5
• 分子量: 224.298
• 密度: 1.0±0.1 g/cm3
• 沸点: 315.0±11.0 °C at 760 mmHg
• 分子式: C₁₆H₁₆O
• 熔点: 35 - 36ºC
• 闪点: 131.2±14.2 °C

2,4,6-三甲基二苯甲酮名称

• 中文名: 2,4,6-三甲基苯甲酮
• 英文名: phenyl-(2,4,6-trimethylphenyl)methanone
• 中文别名: 2,4,6-三甲基二苯甲酮

2,4,6-三甲基二苯甲酮物理化学性质

• 密度: 1.0±0.1 g/cm3
• 沸点: 315.0±11.0 °C at 760 mmHg
• 熔点: 35 - 36ºC
• 分子式: C₁₆H₁₆O
• 分子量: 224.298
• 闪点: 131.2±14.2 °C
• 精确质量: 224.120117
• PSA: 17.07000
• LogP: 4.56
• InChIKey: HPAFOABSQZMTHE-UHFFFAOYSA-N
• SMILES: Cc1cc(C)c(C(=O)c2ccccc2)c(C)c1
• 外观性状: 透明至黄色半固体
• 蒸汽压: 0.0±0.7 mmHg at 25°C
• 折射率: 1.565
• 储存条件: 室温，干燥
• 计算化学:

  1.疏水参数计算参考值（XlogP）:4.4

  2.氢键供体数量:0

  3.氢键受体数量:1

  4.可旋转化学键数量:2

  5.互变异构体数量:15

  6.拓扑分子极性表面积:17.1

  7.重原子数量:17

  8.表面电荷:0

  9.复杂度:253

  10.同位素原子数量:0

  11.确定原子立构中心数量:0

  12.不确定原子立构中心数量:0

  13.确定化学键立构中心数量:0

  14.不确定化学键立构中心数量:0

  15.共价键单元数量:1

2,4,6-三甲基二苯甲酮安全信息

• 危害码 (欧洲): Xn,N
• 风险声明 (欧洲): 22-36-50/53
• 安全声明 (欧洲): 26-60-61

2,4,6-三甲基二苯甲酮靶点实验

查看更多实验

实验名称：Luminescence-based cell-based primary high throughput screening assay to identify ago... 来源：The Scripps Research Institute Molecular Screening Center 靶标：mu-type opioid receptor isoform MOR-1 [Homo sapiens] External Id：OPRM1-OPRD1_AG_LUMI_1536_1X%ACT PRUN

实验名称：QFRET-based biochemical primary high throughput screening assay to identify exosite i... 来源：The Scripps Research Institute Molecular Screening Center 靶标：disintegrin and metalloproteinase domain-containing protein 17 preproprotein [Homo sapiens] External Id：ADAM17_INH_QFRET_1536_1X%INH PRUN

实验名称：Fluorescence-based cell-based primary high throughput screening assay to identify ago... 来源：The Scripps Research Institute Molecular Screening Center 靶标：muscarinic acetylcholine receptor M1 [Homo sapiens] External Id：CHRM1_AG_FLUO8_1536_1X%ACT PRUN

实验名称：Fluorescence polarization to screen for inhibitor that competite the binding of FadD2... 来源：Broad Institute 靶标：FATTY-ACID-CoA LIGASE FADD28 (FATTY-ACID-CoA SYNTHETASE) External Id：2147-01_Inhibitor_SinglePoint_HTS_Activity

实验名称：Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfect... 来源：Broad Institute 靶标：N/A External Id：Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfected HEK293 cells Inhibition - 7011-01_Antagonist_SinglePoint_HTS_Activity

实验名称：Fluorescence-based cell-based primary high throughput screening assay to identify pos... 来源：The Scripps Research Institute Molecular Screening Center 靶标：muscarinic acetylcholine receptor M1 [Homo sapiens] External Id：CHRM1_PAM_FLUO8_1536_1X%ACT PRUN

实验名称：Fluorescence polarization-based biochemical high throughput primary assay to identify... 来源：The Scripps Research Institute Molecular Screening Center 靶标：RecName: Full=Sialate O-acetylesterase; AltName: Full=H-Lse; AltName: Full=Sialic acid-specific 9-O-acetylesterase; Flags: Precursor [Homo sapiens] External Id：SIAE_INH_FP_1536_1X%INH PRUN

实验名称：Confirmatory qHTS for agonist of cAMP-regulated guanine nucleotide exchange factor 3 ... 来源：NCGC External Id：epac1-activator-f1f2f3f4

实验名称：Confirmatory qHTS for antagonist of cAMP-regulated guanine nucleotide exchange factor... 来源：NCGC External Id：epac1-inhibitor-f1f2f3f4

实验名称：uHTS identification of small molecule modulators of NR3A 来源：Burnham Center for Chemical Genomics 靶标：N/A External Id：SBCCG-A1015-NR3A-Primary-Assay

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2,4,6-三甲基二苯甲酮英文别名

• Mesityl phenyl ketone
• MFCD02685558
• Ketone, mesityl phenyl
• EINECS 403-150-9
• 2,4,6-trimethyl-benzophenone
• Benzoylmesitylene
• Mesitylphenylketon
• phenyl mesityl ketone
• Ketone,mesityl phenyl
• Mesityl(phenyl)methanone
• Mesitylene,2-benzoyl
• Benzophenone,2,4,6-trimethyl