≥98%(GC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 13 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Natural occurrence: Melon, pineapple, grape, brandy, Arctic bramble, olives and lettuce. Phenethyl acetate is a volatile flavor compound reported to be found in Malaysian cocoa beans, cheddar cheese, wine, brandy, and other grape-derived alcoholic beverages.
| Pubchem Sid | 504751422 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504751422 |
| Canonical Smiles | CC(=O)OCCC1=CC=CC=C1 |
| IUPAC Name | 2-phenylethyl acetate |
| 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 |
| Isomeric SMILES | CC(=O)OCCC1=CC=CC=C1 |
| WGK Germany | 1 |
| RTECS | AJ2220000 |
| Molecular Weight | 164.2 |
| Beilstein | 638179 |
| Reaxy-Rn | 638179 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzene and substituted derivatives |
| Alternative Parents | Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Monocyclic benzene moiety - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene. |
| External Descriptors | acetate ester |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 E2614095 | Certificate of Analysis | May 18, 2026 | P160150 |
| B2218191 | Certificate of Analysis | Dec 10, 2025 | P160150 |
| B2218193 | Certificate of Analysis | Dec 10, 2025 | P160150 |
| B2218195 | Certificate of Analysis | Dec 10, 2025 | P160150 |
| L1706071 | Certificate of Analysis | Jul 09, 2025 | P160150 |
| G2014037 | Certificate of Analysis | May 07, 2024 | P160150 |
| F2506614 | Certificate of Analysis | Apr 29, 2024 | P160150 |
| F2506615 | Certificate of Analysis | Apr 29, 2024 | P160150 |
| G2508131 | Certificate of Analysis | Apr 29, 2024 | P160150 |
| L2318098 | Certificate of Analysis | Dec 25, 2023 | P160150 |
| B2511039 | Certificate of Analysis | Dec 29, 2021 | P160150 |
| Solubility | It is insoluble in paraffin oil, water. Soluble in alcohol, dipropylene glycol, fixed oils, kerosene, propylene glycol. |
|---|---|
| Refractive Index | 1.4970 to 1.4990 |
| Flash Point(°F) | 110 °C |
| Flash Point(°C) | 110°C |
| Boil Point(°C) | 238-239 °C |
| Melt Point(°C) | -31°C |
| Molecular Weight | 164.200 g/mol |
| XLogP3 | 2.300 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 4 |
| Exact Mass | 164.084 Da |
| Monoisotopic Mass | 164.084 Da |
| Topological Polar Surface Area | 26.300 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 137.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
| 1. Huang Yicheng, Yin Liying, Xu Wenqi, Duan Cuicui, Ma Fumin, Ma Yanli, Li Xiaolei, Li Dan. (2023) Antioxidant capacity and flavor compounds of lily rice wine fermented with aroma-producing yeasts. EUROPEAN FOOD RESEARCH AND TECHNOLOGY, [PMID:] [10.1007/s00217-023-04423-6] |
| 2. Ruifang Wang, Qingzhen Zhu, Lina Qiao, Jing Wang, Shengbao Feng, Hailang Sun, Ning Zhang, Baoguo Sun, Jinyuan Sun, Hehe Li, Haitao Chen. (2023) Characterization of the key aroma-active compounds in Qingke baijiu by application of the sensory approach. JOURNAL OF FOOD COMPOSITION AND ANALYSIS, [PMID:] [10.1016/j.jfca.2023.105196] |
| 3. Xuyan Song, Min Wei, Qiang Gao, Xi Pan, Junpeng Yang, Fan Wu, Hongyun Hu. (2020) Influence of Phenethyl Acetate and Naphthalene Addition before and after Pyrolysis on the Quantitative Analysis of Bio-Oil. Energies, 13 (23): (6202). [PMID:] [10.3390/en13236202] |
| 4. Lin Zhu, Xinlei Wang, Xuebo Song, Fuping Zheng, Hehe Li, Feng Chen, Yuhang Zhang, Fuyan Zhang. (2019) Evolution of the key odorants and aroma profiles in traditional Laowuzeng baijiu during its one-year ageing. FOOD CHEMISTRY, [PMID:31816535] [10.1016/j.foodchem.2019.125898] |
| 5. Chunyun Qu, Jianjun Li, Fuxin Liu, Yu Zeng, Yiyin Xu, Weidong Bai, Hao Dong, Gongliang Liu. (2025) Effects of biochar addition on the formation of aromas in fruit wine fermented by Zygosaccharomyces mellis LGL-1. Food Bioscience, [PMID:] [10.1016/j.fbio.2025.105842] |
| 6. Junsong Zhang, Yiqun Wang, Yuanyang Zhu, Man Su, Yifei Xie, Yongjie Zheng, Haibo Zhu, Miao Liang, Ruili Li, Xiaoyun Zheng. (2024) Pyrolysis characteristics of different types of tobacco and its correlation with the released aroma components under heating condition. JOURNAL OF ANALYTICAL AND APPLIED PYROLYSIS, [PMID:] [10.1016/j.jaap.2024.106646] |
| 7. Xi Jiang, Jian Wu, Lucan Zhao, Jun Wang, Weiqiang Xiao, Zhen Chen, Jian Jiang, Miao Liang, Jiaqi Wang, Junsong Zhang. (2025) Study on the Pyrolysis Behaviour of Different Types of Tobacco and Their Pyrolytic Aroma Components Distribution Under Stepwise Heating Conditions. FLAVOUR AND FRAGRANCE JOURNAL, [PMID:] [10.1002/ffj.3857] |
| 8. Ruirui Li, Dongyue Yang, Zhiyu Li, Xiaohong Tang, Ke Zhong, Yan Ding, Xiaomei Han, Xueqiang Guan, Yuxia Sun. (2025) The effect of stem contact fermentation on the quality of Cabernet Sauvignon and Merlot wines from Yantai, China. Food Bioscience, [PMID:] [10.1016/j.fbio.2025.105872] |
| 9. Xiaotong Lyu, Meiyi Zhou, Qian Wang, Lihuan Lang, Kemin Linghu, Chunhui Wei, Liangcai Lin, Paul A. Kilmartin, Cuiying Zhang. (2025) Non-volatile compounds as aroma modulators in Jiangxiang-flavor Baijiu: Regional flavor differentiation and synergistic interactions with volatile aromas. FOOD CHEMISTRY, [PMID:40499427] [10.1016/j.foodchem.2025.145015] |
| 10. Lingshuai Meng, Yu Nie, Siyao Wu, Wei Li, Bangxi Zhang, Guangcan Tao, Tingting Zheng, Haijiang Chen, Dong Lin, Xu Song, Sen Cao, Su Xu. (2026) Effects of variety and cultivation on volatile organic compounds in Dictyophora rubrovolvata: Insights from integrated GC-IMS, GC-MS and E-nose and Multivariate Data Analysis. Food Chemistry-X, [PMID:41585561] [10.1016/j.fochx.2026.103516] |
| 11. Xiaolei Li, Wanxin Wang, Yujia Li, Fumin Ma, Cuicui Duan, Dan Li. (2026) Deciphering flavor profile and metabolic pathways in black chokeberry Co-fermented by Lactiplantibacillus plantarum and Hansenula sp. via integrated volatilomics and metabolomics. FOOD RESEARCH INTERNATIONAL, [PMID:41763756] [10.1016/j.foodres.2026.118371] |
| 12. Lingshuai Meng, Tingting Zheng, Qingsong Zhou, Faping Mao, Yu Nie, Xu Song, Sen Cao, Su Xu. (2026) Effects of thermal drying methods on characteristic volatile organic compounds in Rosa roxburghii pomace. FOOD CHEMISTRY, [PMID:41619667] [10.1016/j.foodchem.2026.148210] |
| 13. Nian Cao, Yubo Yang, Xiaoling Xiong, Bohan Zhang, Ping Xiang, Fan Yang. (2026) Dynamic sensory mapping: how sip volume shapes sensory perception and drinking comfort of Jiangxiangxing Baijiu. INTERNATIONAL JOURNAL OF FOOD PROPERTIES, [PMID:] [10.1080/10942912.2026.2618833] |
