威士忌内酯 | 39212-23-2
中文名称:
威士忌内酯
英文名称:
Whiskey lactone
CAS No.:
39212-23-2
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:威士忌内酯结构式
名称和标识符
MDL
MFCD00209540
InChIKey
WNVCMFHPRIBNCW-UHFFFAOYSA-N
Inchi
1S/C9H16O2/c1-3-4-5-8-7(2)6-9(10)11-8/h7-8H,3-6H2,1-2H3
SMILES
CCCCC1C(C)CC(=O)O1
别名信息
- 中文别名 -
威士忌内酯
4-羟基-3-甲基-辛内酯
4-甲基-5-丁基-二氢呋喃酮
β-甲基-γ-辛醇内酯 (异构体混合物)
4-羟基-3-甲基-γ-辛内酯
beta-Methyl-gamma-octanolactone (mixture of isomers) β-甲基-γ-辛醇内酯 (异构体混合物)
二氢-4-甲基-5-丁基-2(3H)-呋喃酮
偶氮二钠
4-羟基-3-甲基-辛内酯或4-甲基-5-丁基-二氢呋喃酮-2
5-丁基-4-甲基二氢-2(3H)呋喃酮
-甲基-&gamma
威士忌酮
-辛醇内酯 (异构体混合物)
5-丁基-4-甲基二氢-2(3H)呋喃酮 (异构体混合物)
威士忌酮 (异构体混合物)
- 英文别名 -
Whiskey lactone
(+/-)-5-Butyl-4-methyldihydro-2(3H)-furanone
beta-Methyl-gamma-octanolactone (mixture of isomers)
(±)-5-Butyl-4-methyldihydro-2(3H)-furanone
Methyl Octalactone
Whiskey lactone
WHISKY LACTONE
&beta
5-Butyl-4-methyldihydro-2(3H)-furanone
5-butyl-4-methyloxolan-2-one
WHISKEY LACTONE,3-Methyl-4-octanolide 5-Butyl-4-methyldihydro-2(3H)-furanone
5-Butyl-4-methyldihydro-2(3H)-furanone (mixture of isomers)
物化性质
实验特性
LogP
2.12820
PSA
26.30000
折射率
1.4454
沸点
64°C/0.01mmHg(lit.)
蒸气压
0.0±0.5 mmHg at 25°C
闪点
>110 ºC
FEMA
3803
密度
0.952
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
156.11503
重原子数量
11
复杂度
143
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
2
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
拓扑分子极性表面积
26.3
海关数据
海关编码
2932209090
海关数据
中国海关编码:
2932209090
概述:
2932209090. 其他内酯. 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:
2932209090. other lactones. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
相关文献
1.
Selection of cost-effective yet chemically diverse pathways from the networks of computer-generated retrosynthetic plans
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2.
Asymmetric synthesis of trans-4,5-disubstituted γ-butyrolactones involving a key allylboration step. First access to (?)-nicotlactone B and (?)-galbacin
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3.
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5.
An efficient enantioselective approach to multifunctionalized γ-butyrolactone: concise synthesis of (+)-nephrosteranic acid
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6.
Cognitive apprenticeship as a vehicle for enhancing the understanding and functionalization of organic chemistry knowledge
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7.
Stereodifferentiation of oak lactone by using multidimensional chromatographic techniques
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8.
Recent reports on the synthesis of γ-butenolide, γ-alkylidenebutenolide frameworks, and related natural products
Shrestha Chatterjee,Rajkumar Sahoo,Samik Nanda Org. Biomol. Chem. 2021 19 7298
9.
Asymmetric synthesis of allylic compounds via hydrofunctionalisation and difunctionalisation of dienes, allenes, and alkynes
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参考资料
Reaxys RN
114704
Beilstein
B152725
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