名称和标识符别名信息物化性质安全信息海关数据相关文献专业数据库参考参考资料相关分类相关产品

2-甲基丙酸3-苯丙酯 | 103-58-2

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中文名称： 2-甲基丙酸3-苯丙酯

英文名称： Propanoic acid,2-methyl-, 3-phenylpropyl ester

CAS No.： 103-58-2

分子式： C₁₃H₁₈O₂

分子量： 206.28082

如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击：2-甲基丙酸3-苯丙酯结构式

MSDS： 2-甲基丙酸3-苯丙酯MSDS

PubChem CID： 87571778

价格行情： 2-甲基丙酸3-苯丙酯价格

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2-甲基丙酸3-苯丙酯的其他展现形式

相关化合物

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2-苄基丙二酸乙酯

Propanedioic acid,2-(phenylmethyl)-, 1-ethyl ester

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Butanedioic acid, (phenylmethyl)-, dibutyl ester

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Benzenepropanoic acid, a-[(acetyloxy)methyl]-

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DIETHYL BENZYLSUCCINATE

CAS No.：21307-94-8

名称和标识符

MDL	MFCD00082227
InChIKey	VBTAKMZSMFMLGT-UHFFFAOYSA-N
Inchi	1S/C13H18O2/c1-11(2)13(14)15-10-6-9-12-7-4-3-5-8-12/h3-5,7-8,11H,6,9-10H2,1-2H3
SMILES	CC(C)C(=O)OCCCC1=CC=CC=C1

别名信息

- 中文别名 -

异丁酸3-苯丙酯
3-Phenylpropyl Isobutyrate 异丁酸3-苯丙酯
3-苯丙基异丁酸酯
3-苯基异丁酸丙酯
异丁酸-3-苯丙酯

异丁酸-3-苯基丙酯
2-甲基丙酸3-苯丙酯

- 英文别名 -

Propanoic acid,2-methyl-, 3-phenylpropyl ester
3-Phenylpropyl Isobutyrate
3-phenylpropyl 2-methylpropanoate
Isobutyric Acid 3-Phenylpropyl Ester
2-methyl-propanoic acid 3-phenylpropyl ester

FEMA 2893
3-phenylpropyl
3-Phenylpropylisobutyrat
HYDROCINNAMYL ISOBUTYRATE
Isobutyricacid,3-phenyl-1-propylester
2-methyl-propanoicaci3-phenylpropylester
isobutyric acid, 3-phenylpropyl ester
3-PHENYLPROPYL ISOBUTYRATE 98+%
3-PHENYLPROPYL ISOBUTYRATE
ISOBUTYRIC ACID 3-PHENYLPROPYL ESTER

物化性质

实验特性

LogP	2.81840
PSA	26.30000
折射率	n20/D 1.486(lit.)
沸点	137°C/15mmHg
熔点	-60 °C
闪点	>230 °F
FEMA	2893 \| 3-PHENYLPROPYL ISOBUTYRATE
颜色与性状	未确定
溶解性	未确定
密度	0.979 g/mL at 25 °C(lit.)

计算特性

精确分子量	206.13100
氢键供体数量	0
氢键受体数量	2
可旋转化学键数量	6
重原子数量	15
复杂度	181
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）	无
互变异构体数量	无
表面电荷	0

安全信息

RTECS号	NQ5440000
WGK Germany	2
安全说明	S24/25

海关数据

海关编码	2915900090
海关数据	中国海关编码： 2915900090 概述： 2915900090. 其他饱和无环一元羧酸及其酸酐（酰卤、过氧）化物、过氧酸及其卤化、硝化、磺化、亚硝化衍生物. 增值税率:17.0%. 退税率:9.0%. 监管条件:AB(入境货物通关单,出境货物通关单). 最惠国关税:5.5%. 普通关税:30.0% 申报要素：品名, 成分含量, 用途监管条件： A.入境货物通关单 B.出境货物通关单检验检疫类别： R.进口食品卫生监督检验 S.出口食品卫生监督检验 M.进口商品检验 N.出口商品检验 Summary： 2915900090 other saturated acyclic monocarboxylic acids and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:5.5% General tariff:30.0%

海关编码

2915900090

海关数据

中国海关编码：

2915900090

概述：

2915900090. 其他饱和无环一元羧酸及其酸酐（酰卤、过氧）化物、过氧酸及其卤化、硝化、磺化、亚硝化衍生物. 增值税率:17.0%. 退税率:9.0%. 监管条件:AB(入境货物通关单,出境货物通关单). 最惠国关税:5.5%. 普通关税:30.0%

申报要素：

品名, 成分含量, 用途

监管条件：

A.入境货物通关单
B.出境货物通关单

检验检疫类别：

R.进口食品卫生监督检验
S.出口食品卫生监督检验
M.进口商品检验
N.出口商品检验

Summary：

2915900090 other saturated acyclic monocarboxylic acids and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:5.5% General tariff:30.0%

相关文献

1. Ternary metal complexes of vitamin B6 related compounds. Crystal and molecular structures of copper(II)–2,2′-bipyridyl-pyridoxic acid and copper(II)–2,2′-bipyridyl–pyridoxic acid γ-lactone complexes
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8. Novel photosystem involving protonation and deprotonation processes modelled on a PYP photocycle
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9. Novel photosystem involving protonation and deprotonation processes modelled on a PYP photocycle
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专业数据库参考

PubChemId	87571778

参考资料

Reaxys RN	2454387