≥98 atom% D,≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature,Argon charged,Desiccated 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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | CC1=CC=C(C=C1)C |
|---|---|
| IUPAC Name | 1,2,4,5-tetradeuterio-3,6-bis(trideuteriomethyl)benzene |
| InChIKey | URLKBWYHVLBVBO-ZGYYUIRESA-N |
| INCHI | 1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3/i1D3,2D3,3D,4D,5D,6D |
| Isomeric SMILES | [2H]C1=C(C(=C(C(=C1C([2H])([2H])[2H])[2H])[2H])C([2H])([2H])[2H])[2H] |
| WGK Germany | 3 |
| Alternate CAS | 106-42-3 (Unlabeled) |
| UN Number | 1307 |
| Molecular Weight | 116.23 |
| Reaxy-Rn | 1901563 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1901563&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 | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Xylenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | p-Xylenes |
| Alternative Parents | Aromatic hydrocarbons Unsaturated hydrocarbons |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | P-xylene - Aromatic hydrocarbon - Unsaturated hydrocarbon - Hydrocarbon - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as p-xylenes. These are aromatic compounds that contain a p-xylene moiety, which is a monocyclic benzene carrying exactly two methyl groups at the 1- and 4-positions. |
| External Descriptors | Not available |
| Sensitivity | Moisture sensitive |
|---|---|
| Refractive Index | 1.492 |
| Flash Point(°F) | 77.0 °F |
| Flash Point(°C) | 25.00 °C |
| Boil Point(°C) | 135°C |
| Melt Point(°C) | 12-13°C |
| Molecular Weight | 116.230 g/mol |
| XLogP3 | 3.200 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 0 |
| Rotatable Bond Count | 0 |
| Exact Mass | 116.141 Da |
| Monoisotopic Mass | 116.141 Da |
| Topological Polar Surface Area | 0.000 Ų |
| Heavy Atom Count | 8 |
| Formal Charge | 0 |
| Complexity | 48.400 |
| Isotope Atom Count | 10 |
| 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. Mingming Zhang, Meiqin Li, Fang Wang, Jianxin Chen, Yifan Li, Gensheng Chen, Yuwan Wang, Zhihui Feng, Junfeng Yin. (2025) Effect of hydrogen carbonate in brewing water on the aroma of tea infusions. Food Chemistry-X, [PMID:40698371] [10.1016/j.fochx.2025.102758] |
| 2. Mingming Zhang, Zhihui Feng, Fang Wang, Jianxin Chen, Yifan Li, Yuqiong Chen, Junfeng Yin. (2025) Development of Pretreatment Approaches for Authentic Representation of Tea Infusion Aroma. Foods, 14 (16): (2759). [PMID:40870672] [10.3390/foods14162759] |
| 3. Yanyun Wang, Jiahao Lin, Shuangqi Cheng, Tao Qin, Xiang Ni, Qiang Hu, Xiaomin Zheng, Guangfa Xie, Qi Peng. (2025) Flavoromics, sensory evaluation, metagenomics and untargeted metabolomics analysis of fermented tofu sheets from different regions of China. JOURNAL OF FOOD COMPOSITION AND ANALYSIS, [PMID:] [10.1016/j.jfca.2025.108209] |
