Benzyl acetate
(Synonyms: 乙酸苄酯) 目录号 : GC39676
Benzyl acetate (Acetic acid benzyl ester, Benzyl ethanoate, Phenylmethyl), usually found in alcoholic beverages, is a flavouring agent.
Cas No.:140-11-4
Sample solution is provided at 25 µL, 10mM.
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Quality Control & SDS
- View current batch:
- Purity: >99.00%
- COA (Certificate Of Analysis)
- SDS (Safety Data Sheet)
- Datasheet
Benzyl acetate (Acetic acid benzyl ester, Benzyl ethanoate, Phenylmethyl), usually found in alcoholic beverages, is a flavouring agent.
| Cas No. | 140-11-4 | SDF | |
| 别名 | 乙酸苄酯 | ||
| Canonical SMILES | CC(OCC1=CC=CC=C1)=O | ||
| 分子式 | C9H10O2 | 分子量 | 150.18 |
| 溶解度 | Insoluble in Water; ≥35.7 mg/mL in EtOH; ≥49.4 mg/mL in DMSO | 储存条件 | Store at -20°C |
| General tips | 请根据产品在不同溶剂中的溶解度选择合适的溶剂配制储备液；一旦配成溶液，请分装保存，避免反复冻融造成的产品失效。 储备液的保存方式和期限：-80°C 储存时，请在 6 个月内使用，-20°C 储存时，请在 1 个月内使用。 为了提高溶解度，请将管子加热至37℃，然后在超声波浴中震荡一段时间。 |
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| Shipping Condition | 评估样品解决方案：配备蓝冰进行发货。所有其他可用尺寸：配备RT，或根据请求配备蓝冰。 | ||
| 制备储备液 | |||
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1 mg | 5 mg | 10 mg |
| 1 mM | 6.6587 mL | 33.2934 mL | 66.5868 mL |
| 5 mM | 1.3317 mL | 6.6587 mL | 13.3174 mL |
| 10 mM | 0.6659 mL | 3.3293 mL | 6.6587 mL |
| 第一步：请输入基本实验信息（考虑到实验过程中的损耗，建议多配一只动物的药量） | ||||||||||
| 给药剂量 | mg/kg |  |
动物平均体重 | g | |
每只动物给药体积 | ul | |
动物数量 | 只 |
| 第二步：请输入动物体内配方组成（配方适用于不溶于水的药物；不同批次药物配方比例不同，请联系GLPBIO为您提供正确的澄清溶液配方） | ||||||||||
| % DMSO % % Tween 80 % saline | ||||||||||
| 计算重置 | ||||||||||
计算结果:
工作液浓度： mg/ml；
DMSO母液配制方法： mg 药物溶于 μL DMSO溶液（母液浓度 mg/mL，
体内配方配制方法：取 μL DMSO母液，加入 μL PEG300，混匀澄清后加入μL Tween 80，混匀澄清后加入 μL saline，混匀澄清。
1. 首先保证母液是澄清的；
2.
一定要按照顺序依次将溶剂加入，进行下一步操作之前必须保证上一步操作得到的是澄清的溶液，可采用涡旋、超声或水浴加热等物理方法助溶。
3. 以上所有助溶剂都可在 GlpBio 网站选购。
Fragrance material review on Benzyl acetate
Food Chem Toxicol 2012 Sep;50 Suppl 2:S363-84.PMID:22387848DOI:10.1016/j.fct.2012.02.057.
A toxicologic and dermatologic review of Benzyl acetate when used as a fragrance ingredient is presented. Benzyl acetate is a member of the fragrance structural group aryl alkyl alcohol simple acid esters (AAASAE). The AAASAE fragrance ingredients are prepared by reacting an aryl alkyl alcohol with a simple carboxylic acid (a chain of 1-4 carbons) to generate formate, acetate, propionate, butyrate, isobutyrate and carbonate esters. This review contains a detailed summary of all available toxicology and dermatology papers that are related to this individual fragrance ingredient and is not intended as a stand-alone document. Available data for Benzyl acetate were evaluated, then summarized, and includes: physical properties, acute toxicity, skin irritation, mucous membrane (eye) irritation, skin sensitization, elicitation, phototoxicity, toxicokinetics, repeated dose, reproductive toxicity, genotoxicity, or carcinogenicity data. A safety assessment of the entire AAASAE will be published simultaneously with this document. Refer Belsito et al. (2012) for an overall assessment of the safe use of this material and all AAASAE in fragrances.
The Synthesis of Benzyl acetate as a Fragrance and Flavoring Agent with Green Solvents
J Cosmet Sci 2021 Jul-Aug;72(4):362-378.PMID:35262479doi
Benzyl acetate, which has a crucial role in the industry as a flavor and fragrance component, is important for human health to be obtained with a green and clean process. For this purpose, the esterification reaction of acetic acid (AA) and benzyl alcohol (BA) was investigated using five different ionic liquids (ILs) as catalysts. 1-Ethyl-3-methylimidazolium hydrogen sulfate, [EMIM] [HSO4], 1-Ethyl-3-methylimidazolium tetrafluoroborate [EMIM] [BF4], 1-methyl-3-octylimidazolium tetrafluoroborate [OMIM] [BF4], 1-ethyl-3-methylimidazolium bis [(trifluoromethyl)sulfonyl] imide [EMIM] [NTf2], and 1,3-diethylimidazolium bis [(trifluoromethyl)sulfonyl] imide [DEIM] [NTf2] were used as catalysts. The best catalytic performance was obtained with 1-Ethyl-3-methylimidazolium hydrogen sulfate, [EMIM] [HSO4]. The influence of different anions and cations in the IL's structure, the reaction conditions such as initial acid/alcohol ratio, the catalyst amount, the reaction temperature, and the time on conversion were observed. The Box-Behnken experimental design of response surface methodology was applied to estimate the relationship between acid conversion (%) and reaction parameters. According to the model, in all esterification experiments carried out at 110°C, the optimum conditions for maximum conversion were AA:BA molar ratio of 1:1, IL molar ratio of 0.66, and reaction time 4 hours. Under these conditions, 90.34% acid conversion was achieved. [EMIM] [HSO4] can be used for up to three cycles with minimal loss in activity.
Lipase immobilization on glutaraldehyde activated graphene oxide/chitosan/cellulose acetate electrospun nanofibrous membranes and its application on the synthesis of Benzyl acetate
Colloids Surf B Biointerfaces 2022 Jan;209(Pt 2):112151.PMID:34687974DOI:10.1016/j.colsurfb.2021.112151.
In this research, lipase Km12 was immobilized on the glutaraldehyde-activated graphene oxide/chitosan/cellulose acetate nanofibers (GO/Chit/CA NFs) prepared by the electrospinning method. This immobilized lipase exhibited a higher activity value than the free lipase in the acidic pH region. This enzyme showed a 10 °C shift in the maximum temperature activity. Results displayed that the Vmax value of NFs-lipase was 0.64 µmol/min, while it was gained 0.405 µmol/min for the free lipase. The activity of NFs-lipase was reserved 100% after 10 min maintaining at 60 °C, in which the free lipase only kept 75% of its original activity. Moreover, a 20% enhancement in the lipase activity was observed for NFs-lipase after 180 min of incubation at 60 °C, compared to the free enzyme. Reusability studies exhibited that the immobilized lipase well-kept 80% of its original activity after 10 cycles of reusing. Results displayed that 14% of the protein was leaked from NFs-lipase at the same condition. Transesterification results indicated that the free lipase exhibited 65% and 85% conversation level of Benzyl acetate after 12 and 24 h of incubation. Besides, the immobilized lipase showed 80% and 95% conversation level at the same condition. These results indicated the high performance of free and immobilized lipase in the production of Benzyl acetate for applications in the perfume and cosmetic industries.
Benzyl acetate carcinogenicity, metabolism, and disposition in Fischer 344 rats and B6C3F1 mice
Toxicology 1985 Oct;37(1-2):159-70.PMID:4060166DOI:10.1016/0300-483x(85)90121-0.
Carcinogenesis studies of Benzyl acetate (a fragrance and flavoring agent) were conducted in F344 rats and B6C3F1 mice. The chemical was given in corn oil by gavage once daily, 5 days/week for 103 weeks, to groups of 50 animals of each sex and species. For rats the doses were 0, 250, and 500 mg/kg body weight and for mice the doses were 0, 500, and 1000 mg/kg. Mean body weights of control and dosed rats and mice were not affected adversely by Benzyl acetate. The survival of control and low dose female mice was lower than that of the high dose group. A genital tract infection may have contributed to the reduced survival. No other significant difference in survival was observed for dosed rats or mice. Benzyl acetate was absorbed from the gastrointestinal tract of rats and mice, with approximately 90% of the administered dose recovered as various metabolites in the urine within 24 h. The primary metabolite was hippuric acid, with minor amounts of a mercapturic acid, and one or more unidentified metabolites. This capacity for absorption, metabolism, and disposition was unaffected by the amount or number of doses administered. Under the conditions of these studies, Benzyl acetate administration was associated with an increased incidence of acinar cell adenoma of the exocrine pancreas in male F344/N rats. No evidence of carcinogenicity was found for female F344/N rats. For male and female B6C3F1 mice there was evidence of carcinogenicity, in that Benzyl acetate caused an increased incidence of hepatocellular neoplasms (particularly adenomas) and squamous cell neoplasms of the forestomach.
[14C]Benzyl acetate is a potential radiotracer for the measurement of glial metabolism in the rat brain
Nucl Med Biol 2007 Nov;34(8):939-44.PMID:17998096DOI:10.1016/j.nucmedbio.2007.06.011.
In order to develop a suitable radiotracer for the measurement of glial metabolism, we synthesized four different types of ester derivatives of [14C]acetate, namely, [14C]phenyl acetate, [14C]para-nitrophenyl acetate, [14C]2,4-dinitrophenyl acetate and [14C]Benzyl acetate ([14C]BA), and evaluated their potencies in rats. Among the derivatives, the highest brain uptake at 30 s postinjection was observed for [14C]BA, which was more than 23 times higher than that of [14C]acetate itself. A long-term retention of [14C]BA radioactivity in the brain was observed, whereas rapid clearance of radioactivity was seen in the heart. [14C]BA was rapidly hydrolyzed in the intact rat brain, and less than 5% of radiolabeled parent was observed 1 min after the injection. Radiochemical analysis using thin-layer chromatography revealed that [14C]BA was rapidly converted to [14C]glutamine and [14C]glutamate in the cortex within 10 min after injection. Furthermore, the uptake of [14C]BA was significantly decreased following microinjection of fluorocitrate, a selective glial toxin. These results strongly suggest that [14C]BA may be a useful radiotracer for the measurement of glial metabolism in the intact rat brain.