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苯甲酸苄酯

16篇引用文献
  • ≥94%
有货

库存信息

关闭

库存信息

关闭
货号 (SKU) 包装规格 是否现货 价格 数量
B683409-2.5L
 2.5L 期货 Stock Image
B683409-10L
 10L 现货 Stock Image
大包装询价 添加到收藏夹 比较  SDS中文版  DATASHEET
main product photo

基本描述

别名 苄酸苄酯 | 安息香酸苄酯 | 苯甲酸苯甲酯
英文别名 Benzoic Acid Benzyl Ester
规格或纯度 ≥94%
英文名称 Benzyl benzoate
运输条件 常规运输
产品介绍

微有愉快的芳香气味，有灼烧味。能随水蒸气挥发。能与醇、氯仿、醚和油类混溶，不溶于水或甘油。低毒，半数致死量(大鼠，经口)1700mg/kg。有刺激性。苯甲酸苄酯是一种苄基化合物，可通过四丁基碘化铵催化的苄基氯与苯甲酸钠的反应进行合成。据报道，它是从肉桂（Cinnamomum zeylanicum）的叶和茎皮中分离所得精油的关键成分。已对其毒性进行了评估。已研究了苯甲酸苄酯的热分解机理。 

用途：  

苯甲酸苄酯已可用于：
制备苯甲醇/苯甲酸苄酯（BABB）溶液，用于提高整体组织免疫染色BABB方法的组织透明度。
研究其在黑腹果蝇（ Drosophila melanogaster）三龄虫中诱导嗅觉反应的能力。
与水杨酸甲酯一起制备Spalteholz液，用于LSFM（激光片层扫描显微镜）成像。

Slightly pleasant aroma with a burning taste. Can evaporate with water vapor. Can be mixed with alcohols, chloroform, ethers, and oils, insoluble in water or glycerol. Low toxicity, half lethal dose (rat, oral) 1700mg/kg. It is stimulating.Benzyl benzoate is a benzyl compound that can be synthesized by reacting benzyl chloride with sodium benzoate in the presence of tetrabutylaramonium iodide. It is reported to be the key constituent in the essential oils isolated from leaves and stem bark of Cinnamomum zeylanicum. Its toxicity has been assessed. The mechanism of thermal decomposition of benzyl benzoate has been investigated. 

Application：

Benzyl benzoate has been used to:
Prepare benzyl alcohol/benzyl benzoate (BABB) solution employed for enhancing the tissue transparency during the whole-mount immunostaining BABB method.
Study its ability to induce an olfactory response in the third instar larvae of Drosophila melanogaster.
Prepare Spalteholz fluid in combination with methyl salicylate, employed during LSFM (light sheet fluorescence microscopy) imaging.

产品属性

ALogP 4

关联靶点（人）

F2 Tclin Thrombin (11687 活性数据)
活性类型 Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
ESR1 Tclin Estrogen receptor alpha (17718 活性数据)
活性类型 Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
PGR Tclin Progesterone receptor (8562 活性数据)
活性类型 Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
ADRB2 Tclin Beta-2 adrenergic receptor (11824 活性数据)
活性类型 Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CHRM2 Tclin Muscarinic acetylcholine receptor M2 (10671 活性数据)
活性类型 Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
HTR1A Tclin Serotonin 1a (5-HT1a) receptor (14969 活性数据)
活性类型 Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
ADRA2A Tclin Alpha-2a adrenergic receptor (9450 活性数据)
活性类型 Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
AR Tclin Androgen Receptor (11781 活性数据)
活性类型 Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CHRM1 Tclin Muscarinic acetylcholine receptor M1 (12690 活性数据)
活性类型 Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
DRD2 Tclin Dopamine D2 receptor (23596 活性数据)
活性类型 Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
GABRA1 Tclin GABA receptor alpha-1 subunit (399 活性数据)
活性类型 Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
MAOA Tclin Monoamine oxidase A (11911 活性数据)
活性类型 Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CNR1 Tclin Cannabinoid CB1 receptor (20913 活性数据)
活性类型 Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
DRD1 Tclin Dopamine D1 receptor (9720 活性数据)
活性类型 Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
ACHE Tclin Acetylcholinesterase (18204 活性数据)
活性类型 Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
PTGS1 Tclin Cyclooxygenase-1 (9233 活性数据)
活性类型 Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
SLC6A2 Tclin Norepinephrine transporter (10102 活性数据)
活性类型 Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
HRH2 Tclin Histamine H2 receptor (5428 活性数据)
活性类型 Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
HTR2A Tclin Serotonin 2a (5-HT2a) receptor (14758 活性数据)
活性类型 Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
HTR2C Tclin Serotonin 2c (5-HT2c) receptor (11471 活性数据)
活性类型 Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
ADORA1 Tclin Adenosine A1 receptor (17603 活性数据)
活性类型 Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
AGTR1 Tclin Type-1 angiotensin II receptor (5176 活性数据)
活性类型 Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
SLC6A4 Tclin Serotonin transporter (12625 活性数据)
活性类型 Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
ADRA1A Tclin Alpha-1a adrenergic receptor (8359 活性数据)
活性类型 Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
PTGS2 Tclin Cyclooxygenase-2 (13999 活性数据)
活性类型 Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
HRH1 Tclin Histamine H1 receptor (7573 活性数据)
活性类型 Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
OPRM1 Tclin Mu opioid receptor (19785 活性数据)
活性类型 Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
DRD3 Tclin Dopamine D3 receptor (14368 活性数据)
活性类型 Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
OPRD1 Tclin Delta opioid receptor (15096 活性数据)
活性类型 Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
OPRK1 Tclin Kappa opioid receptor (16155 活性数据)
活性类型 Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
HTR3A Tclin Serotonin 3a (5-HT3a) receptor (3366 活性数据)
活性类型 Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
SLC6A3 Tclin Dopamine transporter (10535 活性数据)
活性类型 Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
PTH1R Tclin Parathyroid hormone receptor (47172 活性数据)
活性类型 Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
GRIN1 Tclin Glutamate (NMDA) receptor subunit zeta 1 (122 活性数据)
活性类型 Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
KCNH2 Tclin HERG (29587 活性数据)
活性类型 Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
PDE3A Tclin Phosphodiesterase 3A (3309 活性数据)
活性类型 Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
ADRA2B Tclin Alpha-2b adrenergic receptor (4412 活性数据)
活性类型 Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
ADRA2C Tclin Alpha-2c adrenergic receptor (4876 活性数据)
活性类型 Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CHRM3 Tclin Muscarinic acetylcholine receptor M3 (7750 活性数据)
活性类型 Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
HTR2B Tclin Serotonin 2b (5-HT2b) receptor (10323 活性数据)
活性类型 Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
TBXA2R Tclin Thromboxane A2 receptor (5717 活性数据)
活性类型 Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
PDE4A Tclin Phosphodiesterase 4A (1943 活性数据)
活性类型 Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
HRH3 Tclin Histamine H3 receptor (10389 活性数据)
活性类型 Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
NR1H4 Tclin Bile acid receptor FXR (6228 活性数据)
活性类型 Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
MDH1 Tchem Malate dehydrogenase cytoplasmic (119 活性数据)
活性类型 Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
KDM4A Tchem Lysine-specific demethylase 4A (52245 活性数据)
活性类型 Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 活性数据)
活性类型 Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
KMT2A Tchem Histone-lysine N-methyltransferase MLL (17327 活性数据)
活性类型 Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
SLCO1B1 Tchem Solute carrier organic anion transporter family member 1B1 (2672 活性数据)
活性类型 Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CBX1 Tbio Chromobox protein homolog 1 (92434 活性数据)
活性类型 Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

关联靶点（其它种属）

Agtr2 Angiotensin II type 2 (AT-2) receptor (803 活性数据)
活性类型 Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
ampC Beta-lactamase AmpC (62480 活性数据)
活性类型 Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
blaZ Beta-lactamase (285 活性数据)
活性类型 Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Alpha-chymotrypsin (819 活性数据)
活性类型 Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Pde4d Phosphodiesterase 4D (4 活性数据)
活性类型 Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Agtr1 Type-1A angiotensin II receptor (520 活性数据)
活性类型 Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
MDH2 Malate dehydrogenase mitochondrial (131 活性数据)
活性类型 Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Escherichia coli (133304 活性数据)
活性类型 Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Dermatophagoides pteronyssinus (58 活性数据)
活性类型 Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Mus musculus (284745 活性数据)
活性类型 Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Luciferin 4-monooxygenase (66902 活性数据)
活性类型 Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Lipe Hormone-sensitive lipase (209 活性数据)
活性类型 Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Tribolium castaneum (596 活性数据)
活性类型 Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 活性数据)
活性类型 Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
FTL Ferritin light chain (43324 活性数据)
活性类型 Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Dermatophagoides farinae (123 活性数据)
活性类型 Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
SARS-CoV-2 (38078 活性数据)
活性类型 Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

作用机制

作用机制 Action Type target ID Target Name Target Type Target Organism Binding Site Name 参考文献

名称和识别符

EC号 204-402-9
分子类型 小分子
IUPAC Name benzyl benzoate
INCHI InChI=1S/C14H12O2/c15-14(13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12/h1-10H,11H2
InChi Key SESFRYSPDFLNCH-UHFFFAOYSA-N
Canonical SMILES C1=CC=C(C=C1)COC(=O)C2=CC=CC=C2
Isomeric SMILES C1=CC=C(C=C1)COC(=O)C2=CC=CC=C2
WGK Germany 2
RTECS DG4200000
PubChem CID 2345
分子量 212.24
Beilstein号 2049280
Reaxy-Rn 2049280

化学和物理性质

溶解性 Miscible with ethanol, alcohol, chloroform, ether, oils
密度 1.118
敏感性 对光敏感
折光率 1.5681
闪点(℃) 158℃
沸点 323-324°C
熔点 21°C
分子量 212.240 g/mol
XLogP3 4.000
氢键供体数Hydrogen Bond Donor Count 0
氢键受体数Hydrogen Bond Acceptor Count 2
可旋转键计数Rotatable Bond Count 4
精确质量Exact Mass 212.084 Da
单同位素质量Monoisotopic Mass 212.084 Da
拓扑极表面积Topological Polar Surface Area 26.300 Ų
重原子数Heavy Atom Count 16
形式电荷Formal Charge 0
复杂度Complexity 213.000
同位素原子数Isotope Atom Count 0
定义的原子立体中心计数Defined Atom Stereocenter Count 0
未定义的原子立体中心计数Undefined Atom Stereocenter Count 0
定义的键立体中心计数Defined Bond Stereocenter Count 0
未定义的键立体中心计数Undefined Bond Stereocenter Count 0
所有立体化学键的总数The total count of all stereochemical bonds 0
共价键合单元计数Covalently-Bonded Unit Count 1

安全和危险性（GHS）

象形图 GHS09,   GHS07
信号词 Warning
危险声明

H411: 对水生生物有毒并具有长期持续影响

H302: 吞食有害
预防措施声明

P273: 避免释放到环境中。

P501: 将内容物/容器处理到。。。

P264: 处理后要彻底洗手。

P270: 使用本产品时，请勿进食、饮水或吸烟。

P391: 收集溢出物

P330: 漱口

P301+P317: 如果被吞咽：请寻求医疗帮助。
WGK Germany 2
RTECS DG4200000
Reaxy-Rn 2049280
Merck Index 1127
个人防护装备 Eyeshields,Faceshields,full-face respirator (US),Gloves,multi-purpose combination respirator cartridge (US),type ABEK (EN14387) respirator filter

 SDS英文版

技术规格说明书

Purity(GC) 94-100（%）
Refractive index n20/D 1.568-1.571
Appearance(B683409) Colorless to light yellow liquid
NMR Spectrum 1H Conforms to structure

 技术规格说明书

质检证书（CoA,COO,BSE/TSE 和分析图谱)

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找到2个结果

批号(Lot Number) 证书类型 日期 货号
D2417016 分析证书 24-04-26 B683409
D2417017 分析证书 24-04-19 B683409

此产品的引用文献

如何在您的发表作品中引用阿拉丁的产品和网站?
1. Zou Minghui, Xue Qiqi, Teng Qiao, Zhang Qiqi, Liu Ting, Li Yuanyuan, Zhao Jinhong.  (2023)  Acaricidal activities of paeonol from Moutan Cortex, dried bark of Paeonia × suffruticosa, against the grain pest mite Aleuroglyphus ovatus (Acari: Acaridae).  EXPERIMENTAL AND APPLIED ACAROLOGY,  91  (4): (615-628).  [PMID:37979065] [10.1007/s10493-023-00861-9]
2. Si-Ke Chen, Xiao-Jie Ju, Jie Wei, Wei Wang, Liang-Yin Chu.  (2023)  Controllable Preparation of Monodisperse Chitosan Microspheres Based on Microfluidic Technology.  JOURNAL OF CHEMICAL EDUCATION,  100  (9): (3526–3532).  [10.1021/acs.jchemed.2c00901]
3. Huaxun Luo, Weida Chen, Jiaming Hu, Feng Zhang, Xingbang Hu.  (2023)  Highly Selective Oxidation of Toluene to Benzaldehyde in Alkaline Systems.  INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH,  62  (26): (10051–10056).  [10.1021/acs.iecr.3c01049]
4. Meilin Li, Shenrui Feng, Siyi Huang, Jacques Guillot, Fang Fang.  (2023)  In Vitro Efficacy of Terpenes from Essential Oils against Sarcoptes scabiei.  MOLECULES,  28  (8): (3361).  [PMID:37110595] [10.3390/molecules28083361]
5. Yuan-tong Qi, Yi-Kai Yuan, Jia-Wei Zhang, Yue-Shen Du, Kai-Cong Fu, Ming-Jun Cui, Shu-Shan Du.  (2023)  Contact Toxicity and Repellent Efficacy of Kaempferia rotunda L. to Three Stored Product Insects and Synergistic Interactions between Two Major Compounds Benzyl Benzoate and Bornyl Acetate.  Journal of Essential Oil Bearing Plants,  [10.1080/0972060X.2023.2185545]
6. Jinjia Liu, Min Chen, Weihua Ma, Lifang Zheng, Bing Zhang, Huiting Zhao, Yusuo Jiang.  (2023)  Composition of Strawberry Flower Volatiles and Their Effects on Behavior of Strawberry Pollinators, Bombus terrestris and Apis mellifera.  Agronomy-Basel,  13  (2): (339).  [10.3390/agronomy13020339]
7. He Huang, Huahua Fan, Yuzhen Ge, Wanyue Ye, Yingcen Liu, Caicheng Song, Hua Lin, Xiaotong Zhang, Bing Li, Xiaowa Nie, Shufen Zhang, Rongwen Lu.  (2023)  Solvent-free oxidation of toluene to benzaldehyde using electron-rich Au clusters confined in Silicalite-1.  CHEMICAL ENGINEERING JOURNAL,  458  (141446).  [10.1016/j.cej.2023.141446]
8. Fangyuan Hou, Qingyun Chang, Nana Wan, Jie Li, Xiaohuan Zang, Shuaihua Zhang, Chun Wang, Zhi Wang.  (2022)  A novel porphyrin-based conjugated microporous nanomaterial for solid-phase microextraction of phthalate esters residues in children's food.  FOOD CHEMISTRY,  388  (133015).  [PMID:35468464] [10.1016/j.foodchem.2022.133015]
9. Li Meilin, Liu Shunlong, Yin Zhijuan, Bernigaud Charlotte, Guillot Jacques, Fang Fang.  (2021)  Activity of terpenes derived from essential oils against Sarcoptes scabiei eggs.  Parasites & Vectors,  14  (1): (1-6).  [PMID:34886874] [10.1186/s13071-021-05094-6]
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参考文献

1. Zou Minghui, Xue Qiqi, Teng Qiao, Zhang Qiqi, Liu Ting, Li Yuanyuan, Zhao Jinhong.  (2023)  Acaricidal activities of paeonol from Moutan Cortex, dried bark of Paeonia × suffruticosa, against the grain pest mite Aleuroglyphus ovatus (Acari: Acaridae).  EXPERIMENTAL AND APPLIED ACAROLOGY,  91  (4): (615-628).  [PMID:37979065] [10.1007/s10493-023-00861-9]
2. Si-Ke Chen, Xiao-Jie Ju, Jie Wei, Wei Wang, Liang-Yin Chu.  (2023)  Controllable Preparation of Monodisperse Chitosan Microspheres Based on Microfluidic Technology.  JOURNAL OF CHEMICAL EDUCATION,  100  (9): (3526–3532).  [10.1021/acs.jchemed.2c00901]
3. Huaxun Luo, Weida Chen, Jiaming Hu, Feng Zhang, Xingbang Hu.  (2023)  Highly Selective Oxidation of Toluene to Benzaldehyde in Alkaline Systems.  INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH,  62  (26): (10051–10056).  [10.1021/acs.iecr.3c01049]
4. Meilin Li, Shenrui Feng, Siyi Huang, Jacques Guillot, Fang Fang.  (2023)  In Vitro Efficacy of Terpenes from Essential Oils against Sarcoptes scabiei.  MOLECULES,  28  (8): (3361).  [PMID:37110595] [10.3390/molecules28083361]
5. Yuan-tong Qi, Yi-Kai Yuan, Jia-Wei Zhang, Yue-Shen Du, Kai-Cong Fu, Ming-Jun Cui, Shu-Shan Du.  (2023)  Contact Toxicity and Repellent Efficacy of Kaempferia rotunda L. to Three Stored Product Insects and Synergistic Interactions between Two Major Compounds Benzyl Benzoate and Bornyl Acetate.  Journal of Essential Oil Bearing Plants,  [10.1080/0972060X.2023.2185545]
6. Jinjia Liu, Min Chen, Weihua Ma, Lifang Zheng, Bing Zhang, Huiting Zhao, Yusuo Jiang.  (2023)  Composition of Strawberry Flower Volatiles and Their Effects on Behavior of Strawberry Pollinators, Bombus terrestris and Apis mellifera.  Agronomy-Basel,  13  (2): (339).  [10.3390/agronomy13020339]
7. He Huang, Huahua Fan, Yuzhen Ge, Wanyue Ye, Yingcen Liu, Caicheng Song, Hua Lin, Xiaotong Zhang, Bing Li, Xiaowa Nie, Shufen Zhang, Rongwen Lu.  (2023)  Solvent-free oxidation of toluene to benzaldehyde using electron-rich Au clusters confined in Silicalite-1.  CHEMICAL ENGINEERING JOURNAL,  458  (141446).  [10.1016/j.cej.2023.141446]
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