2-甲基丁酸-3-甲基丁酯 | 27625-35-0
2-甲基丁酸-3-甲基丁酯
3-Methylbutyl 2-methylbutanoate
27625-35-0
C10H20O2
172.2646
名称和标识符
InChIKey |
VGIRHYHLQKDEPP-UHFFFAOYSA-N |
Inchi |
1S/C10H20O2/c1-5-9(4)10(11)12-7-6-8(2)3/h8-9H,5-7H2,1-4H3 |
SMILES |
O(C(C([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])=O)C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H] |
别名信息
- 中文别名 -
- 2-甲基丁酸-3-甲基丁酯
- 2-甲基丁酸-3-甲基丁酯英文名称:Butanoicacid,2-methyl-,3-methylbutylester
- 2-甲基丁酸异戊酯
- 2-甲基丁酸3-甲基丁酯
- 英文别名 -
- Butanoic acid,2-methyl-, 3-methylbutyl ester
- Isopentyl 2-Methylbutyrate
- 3-methylbutyl 2-methylbutyrate
- ISOAMYL 2-METHYL BUTYRATE
- 2-Methyl-buttersaeure-isoamylester
- 2-Methyl-buttersaeure-isopentylester
- 2-methyl-butyric acid isopentyl ester
- 3-Methylbutyl 2-Methylbutanoate
- 4-Methyl-1-pentyl-2-methylbutyrat
- Alloxazin
- Alloxazine
- Isoalloxazine
- iso-amyl 2-methylbutyrate
- Isoamyl 2-methylbutyrate
- Butanoic acid, 2-methyl-, 3-methylbutyl ester
- Isopentyl 2-methylbutanoate
- Isoamyl 2-methylbutanoate
- Isoamyl alpha-methylbutyrate
- iso-Amyl 2-methyl butyrate
- 3-Methylbutyl methylbutyrate
- Fema 3505
- 3-Methylbutyl-2-methyl-butyrate
- FEMA No. 3505
- 3-Methylbutyl 2-methylbutanoate (natural)
物化性质
实验特性
LogP |
2.62180 |
PSA |
26.30000 |
折射率 |
n20/D 1.413(lit.) |
沸点 |
41 °C/1.5 mmHg(lit.) |
闪点 |
华氏:143.6 °F 摄氏:62 °C
|
FEMA |
3505 | 3-METHYLBUTYL 2-METHYLBUTANOATE |
密度 |
0.857 g/mL at 25 °C(lit.) |
计算特性
精确分子量 |
172.14600 |
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 |
12 |
复杂度 |
130 |
疏水参数计算参考值(XlogP) |
3.2 |
拓扑分子极性表面积 |
26.3 |
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