苦杏仁酸 | 611-72-3
中文名称:
苦杏仁酸
英文名称:
Mandelic acid
CAS No.:
611-72-3
分子式:
C8 H8 O3
分子量:
152.1473
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:苦杏仁酸结构式
名称和标识符
MDL
MFCD00064250
InChIKey
IWYDHOAUDWTVEP-UHFFFAOYSA-N
Inchi
1S/C8H8O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7,9H,(H,10,11)
SMILES
O([H])C([H])(C(=O)O[H])C1C([H])=C([H])C([H])=C([H])C=1[H]
别名信息
- 中文别名 -
苦杏仁酸
扁桃酸
苯羟乙酸
alpha-羟基苯乙酸
α-羟基苯乙酸
DL-扁桃酸
2-羟基-2-苯基乙酸
扁桃酸 DL
()-扁桃酸
苯乙醇酸
苦杏仁酸,DL-扁桃酸
杏仁酸
- 英文别名 -
2-Hydroxy-2-phenylacetic acid
(+/-)-alpha-Hydroxyphenylacetic acid
dl-mandelic acid free acid
(+/-)-Mandelic acid
mandelic acid
Benzeneaceticacid,alpha-hydroxy-,(+-)-
DL-MANDELICACID,REAGENT
DL-mandelic acid(mandelic acid)
(R)(S)-MANDELICACID
(±)-DL-Mandelic acid
DL-Mandelic acid DL
DL-Mandelic acid
CYCLANDELATE,PEMOLINE
DL-2-hydroxy-2-phenylacetic acid
Phenylglycolic acid
Amygdalic acid
Almond acid
Uromaline
p-Mandelic acid
Racemic mandelic acid
Paramandelic acid
(RS)-Mandelic acid
Hydroxy(phenyl)acetic acid
2-Phenylglycolic acid
Phenylhydroxyacetic acid
Glycolic acid, phenyl-
Acido mandelico
(+-)-Mandelic acid
Kyselina mandlova
2-Phenyl-2-hydroxyacetic acid
alpha-Hydroxy-alpha-toluic acid
2-Hydroy-2-phenylacetic acid
Mandelic acid [USP]
DL-Hydroxy(phenyl)acetic acid
物化性质
实验特性
LogP
0.80460
PSA
57.53000
折射率
1.4945 (estimate)
沸点
234.6°C (rough estimate)
熔点
120-122 ºC
酸度系数(pKa)
3.85(at 25℃)
密度
1.2890
计算特性
精确分子量
152.04700
氢键供体数量
2
氢键受体数量
3
可旋转化学键数量
2
重原子数量
11
复杂度
138
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
1
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)
0.6
表面电荷
0
拓扑分子极性表面积
57.5
海关数据
海关编码
2918199090
海关数据
中国海关编码:
2918199090
概述:
HS: 2918199090. 其他含醇基但不含其他含氧基羧酸(包括其酸酐、酰卤化物、过氧化物和过氧酸及该税号的衍生物). 增值税率:17.0%. 退税率:9.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:30.0%
申报要素:
品名, 成分含量, 用途
Summary:
2918199090 other carboxylic acids with alcohol function but without other oxygen function, their anhydrides, halides, peroxides, peroxyacids and their derivatives。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:30.0%
相关文献
1.
The enantiopreference in the solid state probed in lamivudine crystal forms with mandelic acid
Cameron Capeletti da Silva,Felipe Terra Martins RSC Adv. 2015 5 20486
2.
l-Proline, a resolution agent able to target both enantiomers of mandelic acid: an exciting case of stoichiometry controlled chiral resolution
Fuli Zhou,Laurent Collard,Koen Robeyns,Tom Leyssens,Oleksii Shemchuk Chem. Commun. 2022 58 8560
3.
A study on the chiral inversion of mandelic acid in humans
Maksims Yevglevskis,Catherine R. Bowskill,Chloe C. Y. Chan,Justin H.-J. Heng,Michael D. Threadgill,Timothy J. Woodman,Matthew D. Lloyd Org. Biomol. Chem. 2014 12 6737
4.
Chiral acid selectivity displayed by PEDOT electropolymerised in the presence of chiral molecules
Yusran Sulaiman,Ritu Kataky Analyst 2012 137 2386
5.
Isolation of different enantiomers caused by variation in the stoichiometric ratio of racemate and resolving agent. The crystal structure of (R)-1-phenylethylammonium (S)-mandelate·dimandelic acid
Sine Larsen,Heidi Lopez de Diego J. Chem. Soc. Perkin Trans. 2 1993 469
6.
Design, synthesis and fluorescence behavior of novel chemosensor with a thieno[2,3-b]thiophene fluorophore
Jing Cao,Wanghui Yan,Yiling Huang RSC Adv. 2016 6 101313
7.
Renewable sources from plants as the starting material for designing new terpene chiral ionic liquids used for the chromatographic separation of acidic enantiomers
Joanna Feder-Kubis,Jolanta Flieger,Ma?gorzata Tatarczak-Michalewska,Anita P?azińska,Anna Madejska,Marta Swatko-Ossor RSC Adv. 2017 7 32344
8.
Synthesis of a new bisbinaphthyl macrocycle for enantioselective fluorescent recognition
Zi-Bo Li,Lin Pu J. Mater. Chem. 2005 15 2860
9.
A simple ternary ion-pair complexation protocol for testing the enantiopurity and the absolute configurational analysis of acid and ester derivatives
Neeru Arya,Sandeep Kumar Mishra,N. Suryaprakash New J. Chem. 2018 42 9920
10.
Complexation-induced circular dichroism and circularly polarised luminescence of an aggregation-induced emission luminogen
Jason C. Y. Ng,Jianzhao Liu,Huimin Su,Yuning Hong,Hongkun Li,Jacky W. Y. Lam,Kam Sing Wong,Ben Zhong Tang J. Mater. Chem. C 2014 2 78
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