≥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 4 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 504752987 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504752987 |
| Canonical Smiles | CC(CCO)CCO |
| IUPAC Name | 3-methylpentane-1,5-diol |
| InChIKey | SXFJDZNJHVPHPH-UHFFFAOYSA-N |
| INCHI | 1S/C6H14O2/c1-6(2-4-7)3-5-8/h6-8H,2-5H2,1H3 |
| Isomeric SMILES | CC(CCO)CCO |
| WGK Germany | 1 |
| RTECS | SA0800000 |
| Molecular Weight | 118.18 |
| Beilstein | 1697330 |
| Reaxy-Rn | 1697331 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1697331&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 | Primary alcohols |
| Alternative Parents | Hydrocarbon derivatives |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Hydrocarbon derivative - Primary alcohol - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as primary alcohols. These are compounds comprising the primary alcohol functional group, with the general structure RCOH (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 |
|---|---|---|---|
 D2620020 | Certificate of Analysis | Apr 24, 2026 | M157872 |
| L1725023 | Certificate of Analysis | Jul 09, 2025 | M157872 |
| H2106495 | Certificate of Analysis | May 12, 2025 | M157872 |
| H2106496 | Certificate of Analysis | May 12, 2025 | M157872 |
| H2106511 | Certificate of Analysis | May 12, 2025 | M157872 |
| J2417574 | Certificate of Analysis | Jun 24, 2024 | M157872 |
| C2531005 | Certificate of Analysis | Aug 10, 2021 | M157872 |
| Sensitivity | Hygroscopic |
|---|---|
| Refractive Index | 1.454 |
| Flash Point(°F) | 289.4 °F |
| Flash Point(°C) | 146°C(lit.) |
| Boil Point(°C) | 150°C/25mmHg(lit.) |
| Molecular Weight | 118.170 g/mol |
| XLogP3 | 0.300 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 4 |
| Exact Mass | 118.099 Da |
| Monoisotopic Mass | 118.099 Da |
| Topological Polar Surface Area | 40.500 Ų |
| Heavy Atom Count | 8 |
| Formal Charge | 0 |
| Complexity | 39.800 |
| 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. Jing Wang, Haijun Bi, Mengru Li, Hui Wang, Manman Xue, Jieyao Yu, Chi-Tang Ho, Liang Zhang, Qinglin Zhuo, Jiadao Jiang, Xiaochun Wan, Xiaoting Zhai. (2023) Contribution of theanine to the temperature-induced changes in aroma profile of Wuyi rock tea. FOOD RESEARCH INTERNATIONAL, [PMID:37254434] [10.1016/j.foodres.2023.112860] |
| 2. Xiao Tu, Jiaxin Hu, Jinghao Peng, Qihan Chen, Yangle Zhao, Zemao Gu. (2025) Discovery of thymoquinone analogues with high anthelmintic activity against monogenean infections in goldfish (Carassius auratus). VETERINARY PARASITOLOGY, [PMID:39837239] [10.1016/j.vetpar.2025.110401] |
| 3. Shimin Geng, Zhen Huang, Yizhen Chen, Ying Li, Liyuan Zhang, Mingen Fei, Renhui Qiu, Wendi Liu. (2024) Polyurethane Acrylate Covalent Adaptable Networks Based on the Autocatalytic Effect of Palm Oil-Based Diol. ACS Applied Polymer Materials, [PMID:] [10.1021/acsapm.4c02964] |
| 4. Yushu Tian, Min Wang, Jiadong Wang, Yi Wei, Yixuan Chang, Xuan Qin, Liqun Zhang. (2026) Tuning Hard-Segment Regularity for Microphase Control and Property Enhancement in Hydroxyl-Terminated Polybutadiene-Based Polyurethane Elastomers. MACROMOLECULES, [PMID:] [10.1021/acs.macromol.5c02654] |
