≥98% 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 2 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 488180872 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488180872 |
| Canonical Smiles | CCCCOC(=O)C(C)O |
| IUPAC Name | butyl 2-hydroxypropanoate |
| InChIKey | MRABAEUHTLLEML-UHFFFAOYSA-N |
| INCHI | 1S/C7H14O3/c1-3-4-5-10-7(9)6(2)8/h6,8H,3-5H2,1-2H3 |
| Isomeric SMILES | CCCCOC(=O)C(C)O |
| WGK Germany | 2 |
| RTECS | OD4025000 |
| UN Number | 1993 |
| Packing Group | I |
| Molecular Weight | 146.18 |
| Beilstein | 3(4)649 |
| Reaxy-Rn | 1721597 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1721597&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 acids and derivatives |
| Class | Carboxylic acids and derivatives |
| Subclass | Carboxylic acid derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Carboxylic acid esters |
| Alternative Parents | Secondary alcohols Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Secondary alcohol - Carboxylic acid ester - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Alcohol - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as carboxylic acid esters. These are carboxylic acid derivatives in which the carbon atom from the carbonyl group is attached to an alkyl or an aryl moiety through an oxygen atom (forming an ester group). |
| 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 |
|---|---|---|---|
 G2219098 | Certificate of Analysis | May 08, 2026 | B111190 |
| K2404130 | Certificate of Analysis | Jul 29, 2024 | B111190 |
| K2404131 | Certificate of Analysis | Jul 29, 2024 | B111190 |
| K2404132 | Certificate of Analysis | Jul 29, 2024 | B111190 |
| D2403193 | Certificate of Analysis | Mar 25, 2024 | B111190 |
| D2403194 | Certificate of Analysis | Mar 25, 2024 | B111190 |
| D2403196 | Certificate of Analysis | Mar 25, 2024 | B111190 |
| L1923064 | Certificate of Analysis | Oct 20, 2023 | B111190 |
| J2309209 | Certificate of Analysis | Sep 20, 2023 | B111190 |
| J2309210 | Certificate of Analysis | Sep 20, 2023 | B111190 |
| J2309211 | Certificate of Analysis | Sep 20, 2023 | B111190 |
| C2310752 | Certificate of Analysis | Mar 20, 2023 | B111190 |
| B2302978 | Certificate of Analysis | Feb 08, 2023 | B111190 |
| F2316143 | Certificate of Analysis | Jun 18, 2022 | B111190 |
| G2219096 | Certificate of Analysis | Jun 18, 2022 | B111190 |
| G2219097 | Certificate of Analysis | Jun 18, 2022 | B111190 |
| Solubility | Slightly soluble in water; Miscible with Alcohol,Ether |
|---|---|
| Refractive Index | 1.421 |
| Specific Rotation[α] | -10.0 to -13.0 deg(neat) |
| Flash Point(°F) | 91℃ |
| Flash Point(°C) | 91℃ |
| Boil Point(°C) | 185-187 °C |
| Melt Point(°C) | -28°C |
| Molecular Weight | 146.180 g/mol |
| XLogP3 | 1.100 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 5 |
| Exact Mass | 146.094 Da |
| Monoisotopic Mass | 146.094 Da |
| Topological Polar Surface Area | 46.500 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 101.000 |
| 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. Ning Shen, Mengting Hu, Xiao-Qian Wang, Pei-Zhi Sun, Cong-Long Yuan, Binghui Liu, Dong Shen, Zhi-Gang Zheng, Quan Li. (2021) Cholesteric Soft Matter Molded Helical Photonic Architecture toward Volatility Monitoring of Organic Solvent. Advanced Photonics Research, 2 (8): (2100018). [PMID:] [10.1002/adpr.202100018] |
| 2. Xiaofeng Li, Yaotai Jiang, Guoqiang Han, Dongshun Deng. (2016) Investigation of the Solubilities of Carbon Dioxide in Some Low Volatile Solvents and Their Thermodynamic Properties. JOURNAL OF CHEMICAL AND ENGINEERING DATA, [PMID:] [10.1021/acs.jced.5b00893] |
