2-苯基异丁酸 | 826-55-1
中文名称:
2-苯基异丁酸
英文名称:
2-methyl-2-phenylpropanoic acid
CAS No.:
826-55-1
分子式:
C1 0 H1 2 O2
分子量:
164.201083183289
名称和标识符
MDL
MFCD00014332
InChIKey
YYEROYLAYAVZNW-UHFFFAOYSA-N
Inchi
1S/C10H12O2/c1-10(2,9(11)12)8-6-4-3-5-7-8/h3-7H,1-2H3,(H,11,12)
SMILES
O=C(C(C)(C)C1C=CC=CC=1)O
BRN
1817837
别名信息
- 中文别名 -
2-苯基异丁酸
a,a-二甲基苯乙酸
2,2-二甲基苯乙酸
2-Phenylisobutyric Acid 2-苯基异丁酸
2-甲基-2-苯基丙酸
alpha,alpha-二甲基苯乙酸
α,α-二甲基苯乙酸
alph,alph-二甲基苯乙酸
- 英文别名 -
2-Methyl-2-phenylpropionic acid
2-Phenylisobutyric acid
alpha,alpha-Dimethyl phenyl Acetic Acid
2,2-DIMETHYLPHENYLACETIC ACID
2-methyl-2-phenylpropanoic acid
^a,^a-DiMethylphenylacetic acid
alpha,alpha-Dimethylphenylacetic acid
Dimethylphenylacetic acid
DR8HUH2GYK
2-phenyl-2-methylpropionic acid
2-methyl-2-phenyl-propionic acid
Hydratropic acid, .alpha.-methyl-
Propionic acid, 2-methyl-2-phenyl-
Benzeneacetic acid,.alpha.-dimethyl-
TH 4161
.alpha.-Toluic acid,.alpha.-dimethyl-
.alpha.,.alpha.-Dimethylphenylacetic acid
.alpha.,.alpha.-Dimethylbenzeneacetic acid
Phenylisob
2-Methyl-2-phenylpropionic Acid
Hydratropic acid, α-methyl- (6CI, 7CI, 8CI)
α,α-Dimethylbenzeneacetic acid (ACI)
2,2-Dimethyl-2-phenylacetic acid
2-Methyl-2-phenylpropanoic acid
2-Phenyl-2-methylpropionic acid
2-Phenylisobutanoic acid
NSC 28952
NSC 29095
α,α-Dimethylphenylacetic acid
AM20041211
2,2-DIMETHYL-2-PHENYLACETIC ACID
NSC-28952
AKOS000121417
SY001281
NSC29095
alpha, alpha-dimethylphenylacetic acid
NS00008935
P1409
alpha,alpha-DIMETHYLPHENYLACETIC ACID
UNII-DR8HUH2GYK
Benzeneacetic acid, .alpha.,.alpha.-dimethyl-
2-Methyl-2-phenylpropanoic acid, AldrichCPR
2-Methyl-2-phenylpropanoic acid, AldrichCPR
A,A-Dimethylbenzeneacetic acid
A,A-Dimethylbenzeneacetic acid
2-methyl-2-phenyl propanoic acid
2-methyl-2-phenyl propanoic acid
NSC28952
NSC28952
MFCD00014332
MFCD00014332
alpha,alpha-dimethylbenzeneacetic acid
alpha,alpha-dimethylbenzeneacetic acid
Q27276560
Q27276560
2-Methyl-2-phenylpropionicacid
2-Methyl-2-phenylpropionicacid
alpha , alpha -Dimethylphenylacetic acid
alpha , alpha -Dimethylphenylacetic acid
AS-10791
AS-10791
AE-562/43450611
AE-562/43450611
826-55-1
826-55-1
2-methyl-2-phenyl- propionic acid
2-methyl-2-phenyl- propionic acid
InChI=1/C10H12O2/c1-10(2,9(11)12)8-6-4-3-5-7-8/h3-7H,1-2H3,(H,11,12)
InChI=1/C10H12O2/c1-10(2,9(11)12)8-6-4-3-5-7-8/h3-7H,1-2H3,(H,11,12)
2,2-dimethyl-2-phenyl-acetic acid
2,2-dimethyl-2-phenyl-acetic acid
phenylisobutyric acid
phenylisobutyric acid
W-104168
W-104168
EC 212-556-3
EC 212-556-3
L10018
L10018
YYEROYLAYAVZNW-UHFFFAOYSA-
YYEROYLAYAVZNW-UHFFFAOYSA-
NSC-29095
NSC-29095
Z104493600
Z104493600
EN300-21181
EN300-21181
DTXSID90231907
DTXSID90231907
SCHEMBL6571
SCHEMBL6571
CS-W004146
CS-W004146
FT-0622096
FT-0622096
Phenylisobuttersaure
Phenylisobuttersaure
AC-370
AC-370
EINECS 212-556-3
EINECS 212-556-3
YYEROYLAYAVZNW-UHFFFAOYSA-N
YYEROYLAYAVZNW-UHFFFAOYSA-N
物化性质
实验特性
LogP
2.04880
PSA
37.30000
水溶性
Insoluble in water.
沸点
270.5℃ at 760 mmHg
熔点
77.0 to 81.0 deg-C
闪点
146.5℃
颜色与性状
白色结晶固体。
溶解性
未确定
密度
1.0890
计算特性
精确分子量
164.08400
氢键供体数量
1
氢键受体数量
2
可旋转化学键数量
2
同位素质量
164.084
重原子数量
12
复杂度
167
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)
1.6
表面电荷
0
拓扑分子极性表面积
37.3
海关数据
海关编码
2942000000
海关数据
中国海关编码:
2916399090
概述:
2916399090 其他芳香一元羧酸. 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, 丙烯酸、丙烯酸盐或酯应报明包装
Summary:
2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%
相关文献
1.
Decarbonylation of phenylacetic acids by high valent transition metal halides
Niccolò Bartalucci,Fabio Marchetti,Stefano Zacchini,Guido Pampaloni Dalton Trans. 2019 48 5725
2.
Efficient photoelectrochemical Kolbe C–C coupling at BiVO4 electrodes under visible light irradiation
William A. Swansborough-Aston,Ayman Soltan,Ben Coulson,Andrew Pratt,Victor Chechik,Richard E. Douthwaite Green Chem. 2023 25 1067
3.
Phosphorothioate anti-sense oligonucleotides: the kinetics and mechanism of the generation of the sulfurising agent from phenylacetyl disulfide (PADS)
James L. Scotson,Benjamin I. Andrews,Andrew P. Laws,Michael I. Page Org. Biomol. Chem. 2016 14 8301
4.
Palladium-catalyzed intramolecular C–H amination using aluminum nitrate as the oxidant
Kai Jia,Yuan Xue,Daoquan Tu,Jun Luo,Chao Jiang Org. Chem. Front. 2023 10 109
5.
Advances in nucleophilic phosphine catalysis of alkenes, allenes, alkynes, and MBHADs
Yi Chiao Fan,Ohyun Kwon Chem. Commun. 2013 49 11588
6.
Reactions of some dicarbonyl compounds. Part III. Oxidation of some β-diketones with alkaline hydrogen peroxide
Wesley Cocker,David H. Grayson J. Chem. Soc. Perkin Trans. 1 1975 1347
参考资料
Reaxys RN
1817837
Beilstein
9(4)1832
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