≥97%(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 8 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 504752146 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504752146 |
| Canonical Smiles | CCCCC(CCC)O |
| IUPAC Name | octan-4-ol |
| InChIKey | WOFPPJOZXUTRAU-UHFFFAOYSA-N |
| INCHI | 1S/C8H18O/c1-3-5-7-8(9)6-4-2/h8-9H,3-7H2,1-2H3 |
| Isomeric SMILES | CCCCC(CCC)O |
| WGK Germany | 3 |
| Molecular Weight | 130.23 |
| Beilstein | 1719300 |
| Reaxy-Rn | 1719296 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1719296&ln= |
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 | Organic oxygen compounds |
| Class | Organooxygen compounds |
| Subclass | Alcohols and polyols |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Secondary alcohols |
| Alternative Parents | Hydrocarbon derivatives |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Secondary alcohol - Hydrocarbon derivative - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as secondary alcohols. These are compounds containing a secondary alcohol functional group, with the general structure HOC(R)(R') (R,R'=alkyl, aryl). |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 H2209719 | Certificate of Analysis | May 20, 2026 | O159906 |
| H2209724 | Certificate of Analysis | May 20, 2026 | O159906 |
| G2207418 | Certificate of Analysis | Mar 05, 2026 | O159906 |
| J1713032 | Certificate of Analysis | May 13, 2025 | O159906 |
| G2207424 | Certificate of Analysis | Jun 17, 2022 | O159906 |
| Refractive Index | 1.43 |
|---|---|
| Flash Point(°F) | 149 °F |
| Flash Point(°C) | 65°C(lit.) |
| Boil Point(°C) | 176 °C |
| Melt Point(°C) | -42 °C |
| Molecular Weight | 130.229 g/mol |
| XLogP3 | 2.700 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 5 |
| Exact Mass | 130.136 Da |
| Monoisotopic Mass | 130.136 Da |
| Topological Polar Surface Area | 20.200 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 52.500 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
| 1. Wenjun Rao, Xin Li, Linhua Ouyang, Shuilan Zhu, Shuai Hu, Jinying Zhou. (2023) Characterization of key aroma compounds in Rice flavor baijiu from different rice raw materials by gas chromatography-ion mobility spectrometry and gas chromatography-olfactometry-quadrupole time of flight mass spectrometry. Food Bioscience, [PMID:] [10.1016/j.fbio.2023.103370] |
| 2. Jianqiang Yin, Hongzheng Zhu, Liang Yuan, Bingyou Jiang, Gaochao Pan, Wenliang Zhu, Qinghui Shi. (2023) Effect of hydroxyl position in reagent molecule on coal dust dedusting. FUEL, [PMID:] [10.1016/j.fuel.2023.130183] |
| 3. Zijian Miao, Yu Bai, Xinlei Wang, Chao Han, Bowen Wang, Zexia Li, Jinyuan Sun, Fuping Zheng, Yuhang Zhang, Baoguo Sun. (2023) Unravelling Metabolic Heterogeneity of Chinese Baijiu Fermentation in Age-Gradient Vessels. Foods, 12 (18): (3425). [PMID:37761135] [10.3390/foods12183425] |
| 4. Wei Zhang, Yang Xiao, Ruijie Deng, Ying Wang, Yong Qiu, Qiyao Sun, Aimin Luo. (2023) An electric-field instrument for accelerated aging to improve flavor of Chinese Baijiu. LWT-FOOD SCIENCE AND TECHNOLOGY, [PMID:] [10.1016/j.lwt.2023.114446] |
| 5. Juan Wang, Changjiang Yuan, Xiulin Gao, Yongliang Kang, Mingquan Huang, Jihong Wu, Yuping Liu, Jinglin Zhang, Hehe Li, Yuyu Zhang. (2020) Characterization of key aroma compounds in Huangjiu from northern China by sensory-directed flavor analysis. FOOD RESEARCH INTERNATIONAL, [PMID:32517941] [10.1016/j.foodres.2020.109238] |
| 6. Zhen Mou, Xuemei Cai, Jingyun Liu, Ruijie Deng, Zhaonan Liu, Ruiyu Fan, Jian Tang, Aimin Luo. (2025) Elucidation of the key aroma compounds of floral and fruity aroma in sauce-flavored Baijiu by pervaporative membrane separation, GC-IMS, GC-MS, and Aroma Omission Studies. Food Bioscience, [PMID:] [10.1016/j.fbio.2025.106270] |
| 7. Tianyu Dong, Zilong Tian, Shuwei Wang, Jie Sun, Haitao Chen, Shuqi Wang, Baoguo Sun. (2024) Identification of key off-flavor compounds during storage of fried pepper (Zanthoxylum bungeanum Maxim.) oils by sensory-directed flavor analysis and partial least squares regression (PLSR). JOURNAL OF FOOD COMPOSITION AND ANALYSIS, [PMID:] [10.1016/j.jfca.2024.106268] |
| 8. Jinying Zhou, Wenjun Rao, Shuai Hu, Xin Li, Linghua Ouyang, Shuilan Zhu. (2025) Unveiling aroma evolution in Chinese Te-flavor baijiu with ageing times using GC-IMS, GC-O-QTOF and electronic sensory techniques. FOOD CHEMISTRY, [PMID:40561756] [10.1016/j.foodchem.2025.145250] |
