(±)扁桃酸甲酯

6篇引用文献

≥97%

CAS编号: 4358-87-6
分子式: C₉H₁₀O₃
分子量: 166.17
Beilstein号: 2047558
EC号: 224-434-7
MDL号: MFCD00004493
PubChem编号: 78066
PubChem SID: 488185503

有货

库存信息

关闭

库存信息

关闭

库存信息

关闭

库存信息

关闭

库存信息

关闭

库存信息

关闭

货号 (SKU)	包装规格	是否现货
M107081-5g	5g	现货
M107081-10g	10g	现货
M107081-25g	25g	现货
M107081-100g	100g	现货
M107081-250g	250g	现货
M107081-500g	500g	现货

查看相关系列

羧酸盐 (915) 非杂环砌块 (8211)

Skip to the end of the images gallery

Skip to the beginning of the images gallery

基本描述

别名	DL-扁桃酸甲酯 \| α-羟基苯乙酸甲酯
英文别名	Methyl phenylglycolate \| FT-0605070 \| methyl (+/-)-mandelate \| [4-[2-(4-carbonochloridoyloxyphenyl)propan-2-yl]phenyl] carbonochloridate \| Methyl (2RS)-2-Hydroxy-2-phenylacetate (Methyl Mandelate) \| Spectrum_000182 \| hydroxyl-phenyl-acetic acid methyl est
规格或纯度	≥97%
英文名称	Methyl DL-mandelate
运输条件	常规运输

AI解读

关联靶点（人）

SLCO1B1 Tchem Solute carrier organic anion transporter family member 1B1 (2672 活性数据)

点击查看靶蛋白信息： SLCO1B1

活性类型	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

SLCO1B3 Tchem Solute carrier organic anion transporter family member 1B3 (2517 活性数据)

点击查看靶蛋白信息： SLCO1B3

活性类型	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

关联靶点（其它种属）

SARS-CoV-2 (38078 活性数据)

点击查看此靶标相关信息

活性类型	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

作用机制

作用机制	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	参考文献

名称和识别符

PubChem SID	488185503
EC号	224-434-7
分子类型	小分子
IUPAC Name	methyl 2-hydroxy-2-phenylacetate
INCHI	InChI=1S/C9H10O3/c1-12-9(11)8(10)7-5-3-2-4-6-7/h2-6,8,10H,1H3
InChi Key	ITATYELQCJRCCK-UHFFFAOYSA-N
Canonical SMILES	COC(=O)C(C1=CC=CC=C1)O
Isomeric SMILES	COC(=O)C(C1=CC=CC=C1)O
WGK Germany	3
PubChem CID	78066
分子量	166.17
Beilstein号	2047558
Reaxy-Rn	2047558

化学和物理性质

溶解性	Soluble in methanol (0.1 g/ml).
密度	1.182
闪点(℉)	230 °F
闪点(℃)	>110 °C
沸点	135 °C/12 mmHg
熔点	54-58°C
分子量	166.170 g/mol
XLogP3	1.200
氢键供体数Hydrogen Bond Donor Count	1
氢键受体数Hydrogen Bond Acceptor Count	3
可旋转键计数Rotatable Bond Count	3
精确质量Exact Mass	166.063 Da
单同位素质量Monoisotopic Mass	166.063 Da
拓扑极表面积Topological Polar Surface Area	46.500 Å²
重原子数Heavy Atom Count	12
形式电荷Formal Charge	0
复杂度Complexity	150.000
同位素原子数Isotope Atom Count	0
定义的原子立体中心计数Defined Atom Stereocenter Count	0
未定义的原子立体中心计数Undefined Atom Stereocenter Count	1
定义的键立体中心计数Defined Bond Stereocenter Count	0
未定义的键立体中心计数Undefined Bond Stereocenter Count	0
所有立体化学键的总数The total count of all stereochemical bonds	0
共价键合单元计数Covalently-Bonded Unit Count	1

安全和危险性（GHS）

象形图	GHS07
信号词	Warning
危险声明	H315: 引起皮肤刺激 H319: 引起严重眼睛刺激 H335: 可能引起呼吸道刺激
预防措施声明	P261: 避免吸入灰尘/烟雾/气体/雾/蒸汽/喷雾 P305+P351+P338: 如进入眼睛：用水小心冲洗几分钟。如戴隐形眼镜并可方便地取出，取出隐形眼镜。继续冲洗。 P280: 戴防护手套/穿防护服/戴防护眼罩/戴防护面具。 P302+P352: 如皮肤沾染：用水充分清洗。 P321: 特殊处理（请参阅此标签上的...）。 P405: 密闭存放 P501: 将内容物/容器处理到。。。 P264: 处理后要彻底洗手。 P271: 仅在室外或通风良好的地方使用。 P304+P340: 如误吸入：将人转移到空气新鲜处，保持呼吸舒适体位。 P403+P233: 存放在通风良好的地方。保持容器密闭。 P362+P364: 脱掉沾污的衣服，清洗后方可重新使用。 P264+P265: 处理后彻底洗手[和…]。不要触摸眼睛。 P337+P317: 如果眼睛刺激持续：寻求医疗帮助。 P332+P317: 如果出现皮肤刺激：请寻求医疗帮助。 P319: 如果你感到不适，请寻求医疗帮助。
WGK Germany	3
Reaxy-Rn	2047558
个人防护装备	Eyeshields,Gloves,type N95 (US),type P1 (EN143) respirator filter

技术规格说明书

Purity(GC)	97-100（%）
Melting point	54-57（℃）
Appearance（M107081)	White to Off-White Powder or Chunks
Infrared spectrum	Conforms to Structure

技术规格说明书

质检证书（CoA,COO,BSE/TSE 和分析图谱)

C of A & Other Certificates(BSE/TSE, COO):

输入批号以搜索分析图谱:

通过匹配包装上的批号来查找并下载产品的 COA，每批产品都进行了严格的验证，您可放心使用！

找到14个结果

批号(Lot Number)	证书类型	日期	货号
L2406272	分析证书	24-12-02	M107081
L2410376	分析证书	24-12-02	M107081
L2410377	分析证书	24-12-02	M107081
K2428684	分析证书	24-11-23	M107081
K2428685	分析证书	24-11-23	M107081
K1621106	分析证书	24-06-15	M107081
H2006189	分析证书	24-05-09	M107081
H2006188	分析证书	24-05-09	M107081
H1902066	分析证书	23-05-08	M107081
D2318295	分析证书	23-04-27	M107081
D2318300	分析证书	21-11-05	M107081
D2327040	分析证书	21-11-05	M107081
E2323063	分析证书	21-11-05	M107081
K2406177	分析证书	21-11-05	M107081

显示更多⌵

可替换产品

此产品的引用文献

如何在您的发表作品中引用阿拉丁的产品和网站?

1. Fei Guo,Haoming Xu,Hongna Xu,Hongwei Yu. (2012-11-28) Compensation of the enantioselectivity-activity trade-off in the directed evolution of an esterase from Rhodobacter sphaeroides by site-directed saturation mutagenesis.. Applied microbiology and biotechnology, 97 ((8)): (3355-3362). [PMID:23179614]
2. Xie Chao, Lin Longfei, Huang Liang, Wang Zixin, Jiang Zhiwei, Zhang Zehui, Han Buxing. (2021) Zn-Nx sites on N-doped carbon for aerobic oxidative cleavage and esterification of C(CO)-C bonds. Nature Communications, 12 (1): (1-12). [PMID:34376654] [10.1038/s41467-021-25118-0]
3. Lin Li, Xiao-ting Yuan, Zhi-guo Shi, Lan-ying Xu. (2020) Chiral stationary phase based on cellulose derivative coated polymer microspheres and its separation performance. JOURNAL OF CHROMATOGRAPHY A, 1623 (461154). [PMID:32505273] [10.1016/j.chroma.2020.461154]
4. Yuhong Zhou, Qian Liang, Zhilun Zhang, Zhaodi Wang, Mingxian Huang. (2020) Chiral separations with crosslinked cellulose derivatives attached onto hybrid silica monolith particles via the thiol–ene click reaction. Analytical Methods, 12 (21): (2727-2734). [PMID:32930304] [10.1039/D0AY00772B]
5. Li Zhou, Beibei Liu, Jin Guan, Zhen Jiang, Xingjie Guo. (2020) Preparation of sulfobutylether β-cyclodextrin-silica hybrid monolithic column, and its application to capillary electrochromatography of chiral compounds. JOURNAL OF CHROMATOGRAPHY A, 1620 (460932). [PMID:32029266] [10.1016/j.chroma.2020.460932]
6. Mingxian Huang, Hongyan Ma, Mengna Niu, Fei Hu, Shige Wang, Lulu Li, Chunguang Lv. (2018) Preparation of silica microspheres with a broad pore size distribution and their use as the support for a coated cellulose derivative chiral stationary phase. JOURNAL OF SEPARATION SCIENCE, 41 (6): (1232-1239). [PMID:29211344] [10.1002/jssc.201701215]

参考文献

1. Y Chiang,A J Kresge,N P Schepp,R Xie. (2000-05-18) Generation of the enol of methyl mandelate by flash photolysis of methyl phenyldiazoacetate in aqueous solution and study of rates of ketonization of this enol in that medium.. The Journal of organic chemistry, 65 ((4)): (1175-1180). [PMID:10814068]
2. Asteriani R Dewanti, Yang Xu, Bharati Mitra,. (2004-02-18) Esters of mandelic acid as substrates for (S)-mandelate dehydrogenase from Pseudomonas putida: implications for the reaction mechanism.. Biochemistry, 43 ((7)): ( 1883-1890 ). [PMID:14967029]
3. Jörgen Samuelsson,Torgny Fornstedt. (2008-08-02) Calculations of the energy distribution from perturbation peak data--a new tool for characterization of chromatographic phases.. Journal of chromatography. A, 1203 ((2)): (177-184). [PMID:18672247]
4. Jin-Ling Guo,Xiao-Qing Mu,Yan Xu. (2009-12-25) Integration of newly isolated biocatalyst and resin-based in situ product removal technique for the asymmetric synthesis of (R)-methyl mandelate.. Bioprocess and biosystems engineering, 33 ((7)): (797-804). [PMID:20033429]
5. Jie-Hua Shi,Zuo-Jing Ding,Ying Hu. (2011-05-20) Theoretical study on chiral recognition mechanism of methyl mandelate enantiomers on permethylated β-cyclodextrin.. Journal of molecular modeling, 18 ((2)): (803-813). [PMID:21594758]
6. Karel Hernandez,Eduardo Garcia-Verdugo,Raul Porcar,Roberto Fernandez-Lafuente. (2011-11-25) Hydrolysis of triacetin catalyzed by immobilized lipases: effect of the immobilization protocol and experimental conditions on diacetin yield.. Enzyme and microbial technology, 48 ((6-7)): (510-517). [PMID:22113024]
7. Fei Guo,Haoming Xu,Hongna Xu,Hongwei Yu. (2012-11-28) Compensation of the enantioselectivity-activity trade-off in the directed evolution of an esterase from Rhodobacter sphaeroides by site-directed saturation mutagenesis.. Applied microbiology and biotechnology, 97 ((8)): (3355-3362). [PMID:23179614]
8. M Y Nie,L M Zhou,Q H Wang,D Q Zhu. (2002-05-07) Enantiomer separation of mandelates and their analogs on cyclodextrin derivative chiral stationary phases by capillary GC.. Analytical sciences : the international journal of the Japan Society for Analytical Chemistry, 17 ((10)): (1183-1187). [PMID:11990593]
9. Han-Ning Wei,Bo Wu. (2008-03-20) Screening and immobilization Burkholderia sp. GXU56 lipase for enantioselective resolution of (R,S)-methyl mandelate.. Applied biochemistry and biotechnology, 149 ((1)): (79-88). [PMID:18350389]
10. Xie Chao, Lin Longfei, Huang Liang, Wang Zixin, Jiang Zhiwei, Zhang Zehui, Han Buxing. (2021) Zn-Nx sites on N-doped carbon for aerobic oxidative cleavage and esterification of C(CO)-C bonds. Nature Communications, 12 (1): (1-12). [PMID:34376654] [10.1038/s41467-021-25118-0]
11. Lin Li, Xiao-ting Yuan, Zhi-guo Shi, Lan-ying Xu. (2020) Chiral stationary phase based on cellulose derivative coated polymer microspheres and its separation performance. JOURNAL OF CHROMATOGRAPHY A, 1623 (461154). [PMID:32505273] [10.1016/j.chroma.2020.461154]
12. Yuhong Zhou, Qian Liang, Zhilun Zhang, Zhaodi Wang, Mingxian Huang. (2020) Chiral separations with crosslinked cellulose derivatives attached onto hybrid silica monolith particles via the thiol–ene click reaction. Analytical Methods, 12 (21): (2727-2734). [PMID:32930304] [10.1039/D0AY00772B]
13. Li Zhou, Beibei Liu, Jin Guan, Zhen Jiang, Xingjie Guo. (2020) Preparation of sulfobutylether β-cyclodextrin-silica hybrid monolithic column, and its application to capillary electrochromatography of chiral compounds. JOURNAL OF CHROMATOGRAPHY A, 1620 (460932). [PMID:32029266] [10.1016/j.chroma.2020.460932]
14. Mingxian Huang, Hongyan Ma, Mengna Niu, Fei Hu, Shige Wang, Lulu Li, Chunguang Lv. (2018) Preparation of silica microspheres with a broad pore size distribution and their use as the support for a coated cellulose derivative chiral stationary phase. JOURNAL OF SEPARATION SCIENCE, 41 (6): (1232-1239). [PMID:29211344] [10.1002/jssc.201701215]

溶液计算器

摩尔浓度计算器

计算溶液所需的质量、体积或浓度。

质量

浓度

体积

分子量

g/mol

稀释计算器

计算配制储备溶液所需的稀释度。

浓度1（C1）

体积 1 (V1)

浓度 2 (C2)

体积 2 (V2)

复溶计算器

复溶计算器允许您快速计算试剂的体积，以复溶小瓶。只需输入试剂的质量和目标浓度，计算器将确定其余部分。

体积（添加到小瓶中）

质量（小瓶）

所需的复溶浓度

(±)扁桃酸甲酯

库存信息

库存信息

库存信息

库存信息

库存信息

库存信息

基本描述

AI解读

关联靶点（人）

关联靶点（其它种属）

作用机制

名称和识别符

化学和物理性质

安全和危险性（GHS）

技术规格说明书

质检证书（CoA,COO,BSE/TSE 和分析图谱)

显示更多⌵

相关文档

可替换产品

此产品的引用文献

参考文献

溶液计算器

摩尔浓度计算器

稀释计算器

复溶计算器