≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Argon charged,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 5 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | CCCCCC(=O)OC(=O)CCCCC |
|---|---|
| IUPAC Name | hexanoyl hexanoate |
| InChIKey | PKHMTIRCAFTBDS-UHFFFAOYSA-N |
| INCHI | 1S/C12H22O3/c1-3-5-7-9-11(13)15-12(14)10-8-6-4-2/h3-10H2,1-2H3 |
| Isomeric SMILES | CCCCCC(=O)OC(=O)CCCCC |
| WGK Germany | 3 |
| UN Number | 3265 |
| Packing Group | II |
| Molecular Weight | 214.3 |
| Beilstein | 1776561 |
| Reaxy-Rn | 1776561 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1776561&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 | Dicarboxylic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Dicarboxylic acids and derivatives |
| Alternative Parents | Carboxylic acid anhydrides Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Dicarboxylic acid or derivatives - Carboxylic acid anhydride - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as dicarboxylic acids and derivatives. These are organic compounds containing exactly two carboxylic acid groups. |
| External Descriptors | Not available |
| Sensitivity | Moisture Sensitive |
|---|---|
| Refractive Index | 1.427-1.429 |
| Flash Point(°F) | 235.4 °F |
| Flash Point(°C) | 130 °C |
| Boil Point(°C) | 246-248°C |
| Melt Point(°C) | -40°C |
| Molecular Weight | 214.300 g/mol |
| XLogP3 | 3.700 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 10 |
| Exact Mass | 214.157 Da |
| Monoisotopic Mass | 214.157 Da |
| Topological Polar Surface Area | 43.400 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 167.000 |
| 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. Zhang Yunfei, Wang Xilun, Luo Lu, Huang Yongchun, Li Kai, Li Jianbin. (2022) Enhancement effect of acylated cellulose nanocrystals on waterborne polyurethane. JOURNAL OF POLYMER RESEARCH, 29 (8): (1-11). [PMID:] [10.1007/s10965-022-02996-6] |
| 2. Wei Li, Zhengqiao Zhang, Jie Wu, Zhenzhen Xu, Zhi Liu. (2019) Phosphorylation/caproylation of cornstarch to improve its adhesion to PLA and cotton fibers. RSC Advances, 9 (60): (34880-34887). [PMID:35530666] [10.1039/C9RA07384A] |
| 3. Wei Li, Jie Wu, Xingui Cheng, Lanjuan Wu, Zhi Liu, Qingqing Ni, Yuhao Lu. (2019) Hydroxypropylsulfonation/Caproylation of Cornstarch to Enhance Its Adhesion to PLA Fibers for PLA Sizing. Polymers, 11 (7): (1197). [PMID:31319518] [10.3390/polym11071197] |
| 4. Sheng Tang, Jian-De Liu, Wei Chen, Shao-Hua Huang, Juan Zhang, Zheng-Wu Bai. (2017) Performance comparison of chiral separation materials derived from N-cyclohexylcarbonyl and N-hexanoyl chitosans. JOURNAL OF CHROMATOGRAPHY A, [PMID:29246422] [10.1016/j.chroma.2017.11.067] |
| 5. Xiaoyi Cheng, Xiang-Fu Du, Jing Long, Yangyi Nie, Yuhan Du, Luyao Cheng, Cairong Li, Mei-Xia Zhao, Yuxiao Lai, Wei Zhang. (2026) Multifunctional cisplatin-loaded polydopamine/MnO2 nanomedicine circumvents drug resistant tumor microenvironment for enhanced chemo-photothermal therapy. COLLOIDS AND SURFACES B-BIOINTERFACES, [PMID:41666770] [10.1016/j.colsurfb.2026.115505] |
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