计算溶液所需的质量、体积或浓度。
| 活性类型 | Relation | Activity value | Units | Action Type | 期刊 | PubMed Id | doi | Assay Aladdin ID |
|---|
为什么选择此级别
提供 ≥99% 纯度，适用于对基线干扰要求严格的色谱和分析工作流程。
储存与运输
室温。常规运输 。请查阅批次 COA 获取详细规格。
质量文档
SDS、COA、产品数据表及规格说明书均可下载。可通过批号查询获取批次 COA。
文献证明
在色谱分析、有机合成和交叉偶联反应领域已被 27 篇同行评审文献引用。
概述
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。
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.
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.
规格
别名
苄酸苄酯 | 安息香酸苄酯 | 苯甲酸苯甲酯
英文别名
KBio1_000204 | Benzyl benzoate, >=99% | BENZYLOXY PHENYL KETONE | KBioSS_001720 | Spectrum_001240 | KBio2_004288 | Ascabin | BENZYL BENZOATE [WHO-DD] | Benylate | Benzoesaeurebenzylester | Benzyl phenylformate | KBio3_002714 | N863NB338G | BENZYL BENZOATE
规格或纯度
≥99%, 精制级
英文名称
Benzyl benzoate
应用
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。
储存条件
室温
运输条件
常规运输
作用类型
抑制剂
纯度
≥99%
名称和识别符
PubChem SID
EC号
204-402-9
分子类型
小分子
IUPAC Name
benzyl benzoate
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
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
分子量
212.24
Beilstein号
2049280
Reaxy-Rn
2049280
Reaxys-RN link address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2049280&ln=
技术文档
高级数据
系统学分类
分类树（Taxonomy Tree）
| 界（kingdom) | 有机化合物 |
|---|---|
| 超类（Superclass) | 苯类化合物 |
| 类（Class) | 苯及其取代衍生物 |
| 亚类（Subclass） | 苯甲酸及其衍生物 |
| 中间层级节点（Intermediate Tree Nodes） | 暂无 |
| 直接上位类(Direct Parent) | 苯甲酸酯 |
| 其他上位类（Alternative Parents） | 苄氧羰基 苯甲酰衍生物 羧酸酯 一元羧酸及其衍生物 有机氧化合物 有机氧化物 碳氢化合物衍生物 |
| 分子骨架（Molecular Framework) | 芳香族同单环化合物 |
| 取代基（Substituents） | 芳香族同单环化合物 - 苯甲酸酯 - 苯甲酰 - 苄氧羰基 - 羧酸衍生物 - 羧酸酰胺 - 烃衍生物 - 单羧酸或其衍生物 - 有机氧化物 - 有机氧化合物 - 有机氧化合物 |
| 描述（Description） | 该化合物属于苯甲酸酯类有机化合物。此类化合物为苯甲酸的酯类衍生物。 |
| 外部描述符（External Descriptors） | a small molecule |
三维结构
交互式化学结构模型
产品属性
| ALogP | 4 |
|---|
关联靶点（人）
F2
Tclin
Thrombin
(11687 活性数据)
ESR1
Tclin
Estrogen receptor alpha
(17718 活性数据)
PGR
Tclin
Progesterone receptor
(8562 活性数据)
ADRB2
Tclin
Beta-2 adrenergic receptor
(11824 活性数据)
CHRM2
Tclin
Muscarinic acetylcholine receptor M2
(10671 活性数据)
HTR1A
Tclin
Serotonin 1a (5-HT1a) receptor
(14969 活性数据)
ADRA2A
Tclin
Alpha-2a adrenergic receptor
(9450 活性数据)
AR
Tclin
Androgen Receptor
(11781 活性数据)
CHRM1
Tclin
Muscarinic acetylcholine receptor M1
(12690 活性数据)
DRD2
Tclin
Dopamine D2 receptor
(23596 活性数据)
GABRA1
Tclin
GABA receptor alpha-1 subunit
(399 活性数据)
MAOA
Tclin
Monoamine oxidase A
(11911 活性数据)
CNR1
Tclin
Cannabinoid CB1 receptor
(20913 活性数据)
DRD1
Tclin
Dopamine D1 receptor
(9720 活性数据)
ACHE
Tclin
Acetylcholinesterase
(18204 活性数据)
PTGS1
Tclin
Cyclooxygenase-1
(9233 活性数据)
SLC6A2
Tclin
Norepinephrine transporter
(10102 活性数据)
HRH2
Tclin
Histamine H2 receptor
(5428 活性数据)
HTR2A
Tclin
Serotonin 2a (5-HT2a) receptor
(14758 活性数据)
HTR2C
Tclin
Serotonin 2c (5-HT2c) receptor
(11471 活性数据)
ADORA1
Tclin
Adenosine A1 receptor
(17603 活性数据)
AGTR1
Tclin
Type-1 angiotensin II receptor
(5176 活性数据)
SLC6A4
Tclin
Serotonin transporter
(12625 活性数据)
ADRA1A
Tclin
Alpha-1a adrenergic receptor
(8359 活性数据)
PTGS2
Tclin
Cyclooxygenase-2
(13999 活性数据)
HRH1
Tclin
Histamine H1 receptor
(7573 活性数据)
OPRM1
Tclin
Mu opioid receptor
(19785 活性数据)
DRD3
Tclin
Dopamine D3 receptor
(14368 活性数据)
OPRD1
Tclin
Delta opioid receptor
(15096 活性数据)
OPRK1
Tclin
Kappa opioid receptor
(16155 活性数据)
HTR3A
Tclin
Serotonin 3a (5-HT3a) receptor
(3366 活性数据)
SLC6A3
Tclin
Dopamine transporter
(10535 活性数据)
PTH1R
Tclin
Parathyroid hormone receptor
(47172 活性数据)
GRIN1
Tclin
Glutamate (NMDA) receptor subunit zeta 1
(122 活性数据)
KCNH2
Tclin
HERG
(29587 活性数据)
PDE3A
Tclin
Phosphodiesterase 3A
(3309 活性数据)
ADRA2B
Tclin
Alpha-2b adrenergic receptor
(4412 活性数据)
ADRA2C
Tclin
Alpha-2c adrenergic receptor
(4876 活性数据)
CHRM3
Tclin
Muscarinic acetylcholine receptor M3
(7750 活性数据)
HTR2B
Tclin
Serotonin 2b (5-HT2b) receptor
(10323 活性数据)
TBXA2R
Tclin
Thromboxane A2 receptor
(5717 活性数据)
PDE4A
Tclin
Phosphodiesterase 4A
(1943 活性数据)
HRH3
Tclin
Histamine H3 receptor
(10389 活性数据)
NR1H4
Tclin
Bile acid receptor FXR
(6228 活性数据)
MDH1
Tchem
Malate dehydrogenase cytoplasmic
(119 活性数据)
KDM4A
Tchem
Lysine-specific demethylase 4A
(52245 活性数据)
TDP1
Tchem
Tyrosyl-DNA phosphodiesterase 1
(345557 活性数据)
KMT2A
Tchem
Histone-lysine N-methyltransferase MLL
(17327 活性数据)
SLCO1B1
Tchem
Solute carrier organic anion transporter family member 1B1
(2672 活性数据)
CBX1
Tbio
Chromobox protein homolog 1
(92434 活性数据)
关联靶点（其它种属）
Agtr2
Angiotensin II type 2 (AT-2) receptor (803 活性数据)
ampC
Beta-lactamase AmpC (62480 活性数据)
blaZ
Beta-lactamase (285 活性数据)
Alpha-chymotrypsin (819 活性数据)
Pde4d
Phosphodiesterase 4D (4 活性数据)
Agtr1
Type-1A angiotensin II receptor (520 活性数据)
MDH2
Malate dehydrogenase mitochondrial (131 活性数据)
Escherichia coli (133304 活性数据)
Dermatophagoides pteronyssinus (58 活性数据)
Mus musculus (284745 活性数据)
Luciferin 4-monooxygenase (66902 活性数据)
Lipe
Hormone-sensitive lipase (209 活性数据)
Tribolium castaneum (596 活性数据)
Nfe2l2
Nuclear factor erythroid 2-related factor 2 (214 活性数据)
FTL
Ferritin light chain (43324 活性数据)
Dermatophagoides farinae (123 活性数据)
SARS-CoV-2 (38078 活性数据)
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 |
|---|
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）
信号词
警告
危险声明
H302: 吞食有害
H313: 接触皮肤可能有害
H411: 对水生生物有毒并具有长期持续影响
预防措施声明
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。
P273: 避免释放到环境中。
P312: 打电话给毒物中心或医生。。。如果你觉得不舒服
P391: 收集溢出物
P501: 将内容物/容器处理到。。。
P301+P312+P330: 如误吞咽：如感觉不适，呼叫急救中心/医生。漱口
WGK Germany
2
RTECS
DG4200000
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
质检证书（CoA,COO,BSE/TSE 和分析图谱)
C of A & Other Certificates(BSE/TSE, COO):
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显示更多⌵
技术文档和文章
Fragrance Science: From “Smells Nice” to a Chemical World That Can Be Studied and Standardized
目录： 技术文章
A Practical Guide to Fragrance Compositions: Turning a Black-Box Formula into an Engineerable System—Compatibility, Stability, Controlled Release, Traceability, and Selection
目录： 技术文章
Solvents, Co-solvents, and Solubilization Systems in Home and Personal Care Formulations: Classification, Functions, and Selection Guide
目录： 技术文章
此产品的引用文献
引用文献
| 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, [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, [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, [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, [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] |
| 10. He Huang, Wanyue Ye, Caicheng Song, Yingcen Liu, Xiaotong Zhang, Yu Shan, Yuzhen Ge, Shufen Zhang, Rongwen Lu. (2021) Confinement of Au3+-rich clusters by using Silicalite-1 for selective solvent-free oxidation of toluene. Journal of Materials Chemistry A, 9 (26): (14710-14721). [10.1039/D1TA02347K] |
| 11. Xingpeng Liu, Ruijie Ma, Yufei Wang, Sanshan Du, Junfeng Tong, Xiaoyan Shi, Jianfeng Li, Xichang Bao, Yangjun Xia, Tao Liu, He Yan. (2021) Significantly Boosting Efficiency of Polymer Solar Cells by Employing a Nontoxic Halogen-Free Additive. ACS Applied Materials & Interfaces, [PMID:33635064] [10.1021/acsami.0c22014] |
| 12. Meilin Li, Buming Liu, Charlotte Bernigaud, Katja Fischer, Jacques Guillot, Fang Fang. (2020) Lemongrass (Cymbopogon citratus) oil: A promising miticidal and ovicidal agent against Sarcoptes scabiei. PLoS Neglected Tropical Diseases, 14 (4): (e0008225). [PMID:32251453] [10.1371/journal.pntd.0008225] |
| 13. Liyun Huang, Kui Wu, Rui Zhang, Hongbing Ji. (2019) Fabrication of Multicore Milli- and Microcapsules for Controlling Hydrophobic Drugs Release Using a Facile Approach. INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH, [10.1021/acs.iecr.9b02351] |
| 14. Chen Xu, Taoguang Qu, Xiaojie Zhang, Xiongwei Qu, Nongyue Wang, Qingxin Zhang, Beckry Abdel-Magid, Guohua Li. (2019) Enhanced toughness and thermal conductivity for epoxy resin with a core–shell structured polyacrylic modifier and modified boron nitride. RSC Advances, 9 (15): (8654-8663). [PMID:35518695] [10.1039/C8RA10645B] |
| 15. Zhou Fang, Xue-Ru Cao, Ya-Lan Yu, Min Li. (2019) Fabrication and characterization of microcapsule encapsulating EOR surfactants by microfluidic technique. COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS, [10.1016/j.colsurfa.2019.02.045] |
| 16. Chen Lu, Jiaming Hu, Yuning Meng, Aidong Zhou, Feng Zhang, Zhibing Zhang. (2018) The synergistic effect of benzyl benzoate on the selective oxidation of toluene to benzaldehyde. CHEMICAL ENGINEERING RESEARCH & DESIGN, [10.1016/j.cherd.2018.10.019] |
| 17. Feng Liu, Shudong Lin, Zuoquan Zhang, Jiwen Hu, Guojun Liu, Yuanyuan Tu, Yang Yang, Hailiang Zou, Yangmiao Mo, Lei Miao. (2014) pH-Responsive Nanoemulsions for Controlled Drug Release. BIOMACROMOLECULES, [PMID:24527876] [10.1021/bm4018484] |
| 18. Qing Gao, Nuo Jin, Zhifan Shen, Jingran Guo, Haiping Lu, Shanjie Han, Wenhan Xiao, Jing Lu, Yonggen Lou. (2025) Both Jasmonic Acid- and Abscisic Acid-Mediated Signalling Pathways Regulate the Ovicidal Defence of Plants Against Phloem-Feeding Insects. PLANT CELL AND ENVIRONMENT, [PMID:39996692] [10.1111/pce.15445] |
| 19. Luoling Zhang, Qiao Teng, Junjie Guo, Minghui Zou, Qiqi Xue, Jinhong Zhao, Yuanyuan Li. (2024) Efficacy and underlying mechanisms of the essential oil derived from Rosmarinus officinalis against Aleuroglyphus ovatus (Acari: Acaridae). INTERNATIONAL JOURNAL OF ACAROLOGY, [10.1080/01647954.2024.2311668] |
| 20. Cai Xu, Shandi Zhong, Lei Yuan, Mincheng Yu, Yingqi Chen, Liyan Dai, Xiaozhong Wang. (2024) Insight into the promotional effect of Ce doped in (FeCoNiCrMn)3O4 high entropy oxides for solvent-free aerobic oxidation of benzyl alcohol. CHEMICAL ENGINEERING JOURNAL, [10.1016/j.cej.2024.148767] |
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