p-Xylene-d10 - ≥98 atom% D , CAS No.41051-88-1

CAS: 41051-88-1 Cat. No.: P102278 Molecular Weight: 116.23 EC Number: 255-193-6

GRADE & PURITY ≥98 atom% D

Synonyms

D99434 | MFCD00037699 | A935671 | URLKBWYHVLBVBO-ZGYYUIRESA-N | [2H10]-1,4-Dimethylbenzene | p-Xylene-d10, 99 atom % D | 1,4-Dimethylbenzene-d10 | (2H10)-p-Xylene | DTXSID70194021 | 2-Xylene-d10; para-Xylene-d10; 1,4-Dimethylbenzene-d10 | p-Xylene D10 | B

Storage

Room temperature,Argon charged,Desiccated

Shipped In

Normal

Overview

Product Introduction

p-Xylene-d10 is a deuterated derivative of p-xylene. It has an isotopic purity of 98atom%D. A series of solutions of p-xylene dissolved in the first 12 members of the 4-n-alkyloxy-4′-cyanobiphenyls (NOCB) were prepared. Principal components Szz and Sxx - Syy of the second rank orientational ordering matrix of these solutions were determined by deuterium NMR analysis. It is an anthropogenic volatile organic compounds (VOC), which is useful for the formation of secondary organic aerosol (SOA).

Application

p-Xylene-d10 may be used as an internal standard (IS) for GC/MS analysis of volatile organic compounds in the emissions from a landfill.

Specifications

Synonyms

D99434 | MFCD00037699 | A935671 | URLKBWYHVLBVBO-ZGYYUIRESA-N | [2H10]-1, 4-Dimethylbenzene | p-Xylene-d10, 99 atom % D | 1, 4-Dimethylbenzene-d10 | (2H10)-p-Xylene | DTXSID70194021 | 2-Xylene-d10; para-Xylene-d10; 1, 4-Dimethylbenzene-d10 | p-Xylene D10 | B

Specifications & Purity

≥98 atom% D

Storage

Room temperature, Argon charged, Desiccated

Shipped In

Normal

Purity

≥98 atom% D

Names and Identifiers

• Pubchem Sid: 504759291
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504759291
• 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=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Xylenes

• 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

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• 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

References

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]