丁位十一内酯 | 710-04-3
丁位十一内酯
Undecanoic delta-Lactone
710-04-3
C11H20O2
184.2753
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:丁位十一内酯结构式
名称和标识符
MDL |
MFCD00006650 |
InChIKey |
YZRXRLLRSPQHDK-UHFFFAOYSA-N |
Inchi |
1S/C11H20O2/c1-2-3-4-5-7-10-8-6-9-11(12)13-10/h10H,2-9H2,1H3 |
SMILES |
O1C(C([H])([H])C([H])([H])C([H])([H])C1([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])=O |
BRN |
0122724 |
别名信息
- 中文别名 -
- 丁位十一内酯
- 5-十一内酯
- δ-十一内酯
- DELTA-十一烷酸内酯
- 1,4-十一内酯
- 5-羟基-十一酸内酯
- delta-Undecanolactone δ-十一内酯
- 三角洲十一内酯
- Delta-十一内酯
- 四氢-6-己基-2-H-吡喃-2-酮
- 香草醛
- 英文别名 -
- undecanoic delta-lactone
- 5-HYDROXY-N-UNDECANOIC ACID DELTA-LACTONE
- 6-hexyloxan-2-one
- 6-Hexyltetrahydro-2H-pyran-2-one
- DELTA-UNDECALACTONE
- DELTA-UNDECANOLACTONE
- FEMA 3294
- UNDECALACTONE, DELTA-
- Undecanolactone
- 2H-Pyran-2-one, 6-hexyltetrahydro-
- 2H-Pyran-2-one, tetrahydro-3-hexyl-
- 5-Hydroxyundecanoic acid lactone
- 5-hydroxy-undecanoicacidelta-lactone
- 6-hexyltetrahydro-2h-pyran-2-on
- beta-Undecalactone
- delta-Hexyl-delta-valerolactone
- delta-Hexylvalerolactone
- tetrahydro-3-hexyl-2h-pyran-2-on
- Undecan-5-olide
- Undecanoic δ-lactone
- DELTA UNDECALACTONE
- UNDECALACTONE, DELTA-(AS)
- Vanillin
- δ-Undecalactone
- 5-Hydroxyundecanoic Acid δ-Lactone
- 5-Undecanolide
- Undecanolide-1,5
- FEMA No. 3294
- Undecanoic
- A-lactone
- .delta.-Hexylvalerolactone
- 5-Hexyl-5-hydroxypentanoic acid lactone
- Undecanoic acid, 5-hydroxy-, delta-lactone
- YZRXRLL
- 6-Hexyloxan-2-one
- delta-Undecalactone
物化性质
实验特性
LogP |
3.05250 |
PSA |
26.30000 |
折射率 |
n20/D 1.459(lit.) |
沸点 |
168°C/12mmHg(lit.) |
闪点 |
华氏:235.4 °F 摄氏:113 °C
|
FEMA |
3294 | 5-HYDROXYUNDECANOIC ACID LACTONE |
颜色与性状 |
水果味的无色透明液体。 |
溶解性 |
溶于甲醇,不溶于水。 |
密度 |
0.969 g/mL at 25 °C(lit.) |
计算特性
精确分子量 |
184.14600 |
氢键供体数量 |
0 |
氢键受体数量 |
2 |
可旋转化学键数量 |
5 |
同位素质量 |
184.146 |
重原子数量 |
13 |
复杂度 |
154 |
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) |
3.1 |
互变异构体数量 |
2 |
表面电荷 |
0 |
拓扑分子极性表面积 |
26.3 |
海关数据
海关编码 |
2932999099 |
海关数据 |
中国海关编码:
2932999099
概述:
2932999099. 其他仅含氧杂原子的杂环化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%
申报要素:
品名, 成分含量, 用途
Summary:
2932999099. other heterocyclic compounds with oxygen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
|
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参考资料
Reaxys RN |
122724 |
Beilstein |
211-915-1 |
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