苯乙醇乙酸酯 | 103-45-7
中文名称:
苯乙醇乙酸酯
英文名称:
Phenethyl acetate
CAS No.:
103-45-7
分子式:
C1 0 H1 2 O2
分子量:
164.2011
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:苯乙醇乙酸酯结构式
名称和标识符
MDL
MFCD00008720
InChIKey
MDHYEMXUFSJLGV-UHFFFAOYSA-N
Inchi
1S/C10H12O2/c1-9(11)12-8-7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3
SMILES
O(C(C([H])([H])[H])=O)C([H])([H])C([H])([H])C1C([H])=C([H])C([H])=C([H])C=1[H]
BRN
0638179
别名信息
- 中文别名 -
苯乙醇乙酸酯
醋酸苯乙酯
乙酸苯乙酯
乙酸-2-苯基乙酯
苯乙醇乙酸酯(天然级)
2-苯乙基乙酸酯
一酸苯乙酯
乙酸2-苯基乙酯
2-苯基乙酸乙酯
(R)-1-N-BOC-哌啶-2-乙醇
2-Phenylethyl Acetate 乙酸-2-苯基乙酯
3-氨基-2-氯-4-(三氟甲基)吡啶
乙酸-2-苯乙酯
乙酸苯乙脂
乙酸苄甲酯
乙酸Α-甲苄酯
天然乙酸苯乙酯
- 英文别名 -
Phenethyl acetate
ACETIC ACID PHENETHYL ESTER
ACETIC ACID 2-PHENYLETHYL ESTER
2-PHENYLETHYL ACETATE
FEMA 2857
BETA PHENYL ETHYL ACETATE
BETA-PHENETHYL ACETATE
B-PHENYLETHYL ACETATE
ACETIC ACID PHENETHYL ESTER(RG)
PHENYLETHYLACETAT
2-phenethylacetate
2-Phenylethylacetat
PHENYL ETHYL ACETATE
Acetic acid phenethyl
2-Phenethyl acetate
Acetic acid, 2-phenylethyl ester
Benzylcarbinyl acetate
beta-Phenylethyl acetate
Acetic acid, phenethyl ester
Phenethyl alcohol, acetate
Phenylethyl acetate
Ethanol, 2-phenyl-, acetate
Phenethyl acetate (natural)
FEMA No. 2857
.beta.-Phenethyl acetate
Phenylethyl acetate-.beta.
.beta.-Phenylethyl acetate
Acetic Acid Phenethyl Ester
Acetic Acid 2-Phenylethyl Ester
Phenethyl Acetate
2-Phenylethyl acetate
Acetic acid 2-phenylethyl ester
PHENETHYL ACETATE
phenethyl alcohol, acetate
benzylcarbinyl acetate
acetic acid, phenethyl ester
2-phenethyl acetate
beta-phenethyl acetate
acetic acid, 2-phenylethyl ester
beta-phenylethyl acetate
acetic acid beta-phenylethyl ester
物化性质
实验特性
LogP
1.79220
PSA
26.30000
折射率
n20/D 1.498(lit.)
水溶性
可忽略
沸点
238-239 °C(lit.)
熔点
-31 ºC
闪点
华氏:221 °F 摄氏:105 °C
FEMA
2857
颜色与性状
带有蜜甜底甜玫瑰香气的无色液体。具有桃香香气。
溶解性
未确定
密度
1.032 g/mL at 25 °C(lit.)
计算特性
精确分子量
164.08400
氢键供体数量
0
氢键受体数量
2
可旋转化学键数量
4
同位素质量
164.08373
重原子数量
12
复杂度
137
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)
2.3
互变异构体数量
无
表面电荷
0
拓扑分子极性表面积
26.3
海关数据
海关编码
2915390090
海关数据
中国海关编码:
2915390090
概述:
2915390090. 其他乙酸酯. 增值税率:17.0%. 退税率:13.0%. 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:
2915390090. esters of acetic acid. VAT:17.0%. Tax rebate rate:13.0%. Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward). MFN tariff:5.5%. General tariff:30.0%
生产方法和用途
方法
在醋酸钠存在下,由苯乙醇与醋酐反应而得。
在醋酸钠存在下,将乙酸或乙酐与β-苯乙醇加热反应,反应产物经洗涤、减压蒸馏,即得乙酸苯乙酯。
用途
用于配制玫瑰、茉莉及风信子香精
用作溶剂,也用于有机合成
GB 2760—1996规定为允许使用的食用香料。主要用以配制水果、奶油、焦糖、蜂蜜、桃、杏、李、苹果和香草等型香精。亦用作玫瑰型香精协调剂。
用于玫瑰、栀子的花香型甚好,特别是白玫瑰中不可缺少。也适合用于紫罗兰、茉莉、橙花、香石竹、风信子、晚香玉、水仙、桂花等花香型及东方香型、柑橘型等,还常用于香皂、清洁剂、化妆品、喷雾剂、防臭剂的加香,能充实体香。它有桃子香,可用于食用香精,如奶油、桃子、草莓等果香,以及香荚兰豆、玫瑰花等香型中。
该品具桃子香气,天然品在苹果、葡萄、杨莓、茶、添酒、啤酒、威斯忌酒、白兰地酒等中均有存在。主要用作香料成分,成其是玫瑰型调合香料中,该品是不可欠缺的成分,在食品配料方面,主要用作蜂蜜、奶油、太妃糖等的香料。另外,也用作杏、草莓等水果香精。
该品具有桃子香气,天然品在苹果、葡萄、杨梅、茶、甜酒、啤酒、威士忌酒、白兰地酒等中均存在。主要用作香料成分,成其实玫瑰型调和香料中,该品是不可缺的成分,在食品配料方面,主要用作蜂蜜、奶油、太妃糖等的香料。灵位,也用作杏、草莓等水果香糖。
生产方法
1. 烟草:BU,56;OR,57;FC,OR,18;FC,40;合成:由乙酸酐和苯乙醇在乙酸钠存在下反应而得。
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参考资料
Reaxys RN
638179
Beilstein
638179
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