丁位壬内酯 | 3301-94-8
中文名称:
丁位壬内酯
英文名称:
Delta-Nonalactone
CAS No.:
3301-94-8
分子式:
C9 H1 6 O2
分子量:
156.22214
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:丁位壬内酯结构式
名称和标识符
MDL
MFCD00036500
InChIKey
PXRBWNLUQYZAAX-UHFFFAOYSA-N
Inchi
1S/C9H16O2/c1-2-3-5-8-6-4-7-9(10)11-8/h8H,2-7H2,1H3
SMILES
CCCCC1CCCC(=O)O1
BRN
114460
别名信息
- 中文别名 -
丁位壬内酯
δ-壬内酯
6-丁基四氢-2H-吡喃-2-酮
5-壬内酯
DELTA-壬内酯
Δ-壬酸内酯
L,4-壬内酯
Δ-壬醇内酯
5-正丁基-δ-戊内酯
delta-Nonanolactone δ-壬内酯
5-羟基壬酸内酯
δ-壬醇内酯
- 英文别名 -
5-HYDROXYNONANOIC ACID, LACTONE
5-NONANOLIDE
6-butyltetrahydro-2h-pyran-2-one
DELTA-NONALACTONE
DELTA-NONANOLACTONE
DELTA-PELARGONOLACTONE
D-NONALACTONE
FEMA 3356
δ-Nonalactone
NONALACTONE(AS)
5-n-Butyl-δ-valerolactone
5-nonalactone
6-butyl-tetrahydro-pyran-2-one
d-Nonanolactone
i-nonalactone
i-nonanolactone
NONALACTONE(SG)
nonan-5-olide
δ-Nonanolactone
δ-Pelargonolactone
5-Hydroxynonanoic acid lactone
6-Butyltetrahydro-2H-pyran-2-one
Delta-Nonalactone
物化性质
实验特性
LogP
2.27230
PSA
26.30000
折射率
n20/D 1.455(lit.)
沸点
137°C/11mmHg(lit.)
熔点
-26°C
闪点
华氏:>212 °F 摄氏:>100 °C
FEMA
3356
颜色与性状
无色透明液体
溶解性
不溶于水,易溶于醇类等有机溶剂
密度
0.893 g/mL at 25 °C(lit.)
计算特性
精确分子量
156.11500
氢键供体数量
0
氢键受体数量
2
可旋转化学键数量
3
同位素质量
156.115
重原子数量
11
复杂度
132
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)
2.4
互变异构体数量
2
表面电荷
0
拓扑分子极性表面积
26.3A^2
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%
生产方法和用途
用途
用作香料
生产方法
由参羟基壬酸脱水内酯化而成。
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参考资料
Reaxys RN
114460
Beilstein
221-974-5
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