Dimethyl sulfone - Standard for quantitative NMR , CAS No.67-71-0

CAS: 67-71-0 Cat. No.: D109387 Molecular Weight: 94.13 Beilstein Registry Number: 1737717 EC Number: 200-665-9
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GRADE & PURITY Standard for quantitative NMR ? qNMR standard — certified-purity reference for quantitative NMR. Use as an internal/external standard to quantify analytes by qNMR.
Synonyms
DTXSID4043937 | METHYL SULFONYL METHANE | D70240 | F0001-1776 | FT-0625160 | methyl sulphone | DB14090 | DMSO2 | dimethylsulphone | Lignisul MSM | EN300-79559 | Methylsulfonylmethane | MYTHYLSULFONYLMETHANE (MSM) [VANDF] | BDBM50026473 | CCG-214558 | DIME
Storage
Room temperature
Shipped In
Normal
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Size
Status
Price
Qty
1g
D109387-1g
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$99.90
5g
D109387-5g
1

$232.90

$301.90
Save $69.00 (22.86%)
25g
D109387-25g
2
$999.90
100g
D109387-100g
1
$2,799.90
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Why this grade

Standard for quantitative NMR Standard for quantitative NMR for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships Normal Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 20 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
DTXSID4043937 | METHYL SULFONYL METHANE | D70240 | F0001-1776 | FT-0625160 | methyl sulphone | DB14090 | DMSO2 | dimethylsulphone | Lignisul MSM | EN300-79559 | Methylsulfonylmethane | MYTHYLSULFONYLMETHANE (MSM) [VANDF] | BDBM50026473 | CCG-214558 | DIME
Specifications & Purity
Standard for quantitative NMR
Storage
Room temperature
Shipped In
Normal
Grade
Standard for quantitative NMR
Names and Identifiers
Canonical SmilesCS(=O)(=O)C
IUPAC Namemethylsulfonylmethane
InChIKeyHHVIBTZHLRERCL-UHFFFAOYSA-N
INCHI1S/C2H6O2S/c1-5(2,3)4/h1-2H3
Isomeric SMILES CS(=O)(=O)C
WGK Germany 1
RTECS PB2785000
Molecular Weight 94.13
Beilstein 1737717
Reaxy-Rn 1737717
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1737717&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganosulfur compounds
ClassSulfonyls
SubclassSulfones
Intermediate Tree Nodes Not available
Direct ParentSulfones
Alternative Parents Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAliphatic acyclic compounds
Substituents Sulfone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aliphatic acyclic compound
DescriptionThis compound belongs to the class of organic compounds known as sulfones. These are compounds containing a sulfonyl group( which as the general structure RS(=O)2R' (R,R' =alkyl, aryl)) attached to two carbon atoms.
External Descriptors a sulfone
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
CHAT Tchem Choline acetylase (63 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MM418 (2 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MM96L (154 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CI80-13S cell line (2 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HeLa (62764 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
KDM4E Tchem Lysine-specific demethylase 4D-like (40243 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SLCO1B1 Tchem Solute carrier organic anion transporter family member 1B1 (2672 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SLCO1B3 Tchem Solute carrier organic anion transporter family member 1B3 (2517 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
RUNX1 Tbio Runt-related transcription factor 1/Core-binding factor subunit beta (7867 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
B16 (5829 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Cereblon isoform 4 (52 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

7 results found

Lot NumberCertificate TypeDateItem
D2616086Certificate of AnalysisApr 24, 2026 D109387
A2608087Certificate of AnalysisFeb 14, 2023 D109387
B2327205Certificate of AnalysisFeb 14, 2023 D109387
B2327218Certificate of AnalysisFeb 14, 2023 D109387
B2327537Certificate of AnalysisFeb 14, 2023 D109387
G2508066Certificate of AnalysisFeb 14, 2023 D109387
D1916121Certificate of AnalysisFeb 07, 2023 D109387
Chemical and Physical Properties
Refractive Index1.4226
Flash Point(°F)289.4℉
Flash Point(°C)143℃
Boil Point(°C)238°C
Melt Point(°C)109°C
Molecular Weight94.140 g/mol
XLogP3-0.400
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass94.0089 Da
Monoisotopic Mass94.0089 Da
Topological Polar Surface Area42.500 Ų
Heavy Atom Count5
Formal Charge0
Complexity85.300
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Documents & Articles
Citations of This Product
References
1. Li Jing, Tang Chaohua, Yang Youyou, Hu Ying, Zhao Qingyu, Ma Qing, Yue Xiangpeng, Li Fadi, Zhang Junmin.  (2023)  Characterization of meat quality traits, fatty acids and volatile compounds in Hu and Tan sheep.  Frontiers in Nutrition,      [PMID:36866058] [10.3389/fnut.2023.1072159]
2. Youyou Yang, Jing Li, Jiangtao Xing, Weihai Xing, Chaohua Tang, Zhenghua Rao, Junmin Zhang.  (2022)  Untargeted Profiling and Differentiation of Volatiles in Varieties of Meat Using GC Orbitrap MS.  Foods,  11  (24): (3997).  [PMID:36553738] [10.3390/foods11243997]
3. Zhexin Zhu, Wenjie Qian, Zhiguo Shang, Xiaoji Ma, Zhendong Wang, Wangyang Lu, Wenxing Chen.  (2022)  Efficient elimination of carbamazepine using polyacrylonitrile-supported pyridine bridged iron phthalocyanine nanofibers by activating peroxymonosulfate in dark condition.  Journal of Environmental Sciences,      [PMID:37980010] [10.1016/j.jes.2022.10.046]
4. Jing Li, Youyou Yang, Chaohua Tang, Shengnan Yue, Qingyu Zhao, Fadi Li, Junmin Zhang.  (2022)  Changes in lipids and aroma compounds in intramuscular fat from Hu sheep.  FOOD CHEMISTRY,      [PMID:35413762] [10.1016/j.foodchem.2022.132611]
5. Yusong Miao, Dong Niu, Ze Wang, Jian Wang, Zhiyong Wu, Jiaxin Bao, Xiaodi Jin, Rui Li, Muhammad Ishfaq, Jichang Li.  (2022)  Methylsulfonylmethane ameliorates inflammation via NF-κB and ERK/JNK-MAPK signaling pathway in chicken trachea and HD11 cells during Mycoplasma gallisepticum infection.  POULTRY SCIENCE,      [PMID:35121233] [10.1016/j.psj.2022.101706]
6. Cui-Mei Liu, Hong-Yuan He, Lin Xu, Zhen-Dong Hua.  (2020)  New qualitative analysis strategy for illicit drugs using Raman spectroscopy and characteristic peaks method.  Drug Testing and Analysis,  13  (3): (720-728).  [PMID:33142047] [10.1002/dta.2963]
7. Xin Wang, Wangyang Lu, Zhiguo Zhao, Huitian Zhong, Zhexin Zhu, Wenxing Chen.  (2020)  In situ stable growth of β-FeOOH on g-C3N4 for deep oxidation of emerging contaminants by photocatalytic activation of peroxymonosulfate under solar irradiation.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2020.125872]
8. Bo Lin, Shichao Du, Changyou Yu, Ningning Tian, Weiwei Tang.  (2020)  The effect of solvents on solid-liquid phase equilibrium of Dimethyl sulfone.  JOURNAL OF MOLECULAR LIQUIDS,      [PMID:] [10.1016/j.molliq.2020.112448]
9. Fei Wu, Huawang Huang, Tiefeng Xu, Wangyang Lu, Nan Li, Wenxing Chen.  (2017)  Visible-light-assisted peroxymonosulfate activation and mechanism for the degradation of pharmaceuticals over pyridyl-functionalized graphitic carbon nitride coordinated with iron phthalocyanine.  APPLIED CATALYSIS B-ENVIRONMENTAL,      [PMID:] [10.1016/j.apcatb.2017.06.057]
10. Weiting Ma, Yufeng Hu, Jianguang Qi, Lihu Wei, Xianming Zhang, Zhenyu Yang, Siqi Jiang.  (2017)  Acid-Catalyzed Synthesis of Trioxane in Aprotic Media.  INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH,      [PMID:] [10.1021/acs.iecr.7b00634]
11. Xia Chen, Wangyang Lu, Tiefeng Xu, Nan Li, Dandan Qin, Zhexin Zhu, Gangqiang Wang, Wenxing Chen.  (2016)  A bio-inspired strategy to enhance the photocatalytic performance of g-C3N4 under solar irradiation by axial coordination with hemin.  APPLIED CATALYSIS B-ENVIRONMENTAL,      [PMID:] [10.1016/j.apcatb.2016.08.020]
12. Siyu Yi, Zhen Yang, Siru He, Zhongsheng Wang, Yuejiao Chen, Libao Chen.  (2025)  Bond order control in sulfur-based electrolyte additive for low temperatures lithium metal batteries.  JOURNAL OF ALLOYS AND COMPOUNDS,      [PMID:] [10.1016/j.jallcom.2025.179846]
13. Yimeng Ren, Longzhu Zhou, Yujie Shi, Yanan Yu, Weihai Xing, Qingyu Zhao, Junmin Zhang, Yueyu Bai, Jing Li, Chaohua Tang.  (2024)  Effect of alterations in phospholipids and free fatty acids on aroma-active compounds in instant-boiled chuck tender, sirloin and silverside beef.  Heliyon,      [PMID:39253161] [10.1016/j.heliyon.2024.e36382]
14. Cheng Liu, Zhu Zhexin, Wang Gangqiang, Du Shiting.  (2025)  g-C3N4 Enhanced Fe3+/ Fe2+ Cycling to Activate PMS for Pharmaceuticals Degradation Under Solar Irradiation.  CATALYSIS LETTERS,  155  (4): (1-19).  [PMID:] [10.1007/s10562-025-04979-w]
15. Minyuan Han, Gaohui Liu, Chuanjie Fang, Liping Zhu.  (2024)  Robust superhydrophobic Poly(vinylidene fluoride) membranes with spherulitic surface morphology against wetting and scaling in membrane distillation.  JOURNAL OF MEMBRANE SCIENCE,      [PMID:] [10.1016/j.memsci.2024.123027]
16. Jing Wang, Ruifang Wang, Junyi Wang, Yan Gao, Lina Qiao, Ning Zhang.  (2025)  Recognition of characteristic aroma-active components in Qingke (highand barley) through flavoromics analysis.  FOOD CHEMISTRY,      [PMID:40602137] [10.1016/j.foodchem.2025.145262]
17. Junyi Wang, Jing Wang, Yan Gao, Ning Zhang, Baoguo Sun, Fuping Zheng, Haitao Chen.  (2025)  Decoding Qingke's aroma compounds: Flavor contributions, interactions and barley contrast.  FOOD CHEMISTRY,      [PMID:41109048] [10.1016/j.foodchem.2025.146612]
18. Jia Yuan, Xu Gao, Zhaojun Wu, Yang Li.  (2025)  Direct oxygen transfer mediated controllable oxidation in electrochemical membranes facilitate eco-friendly removing DMSO from industrial wastewater.  JOURNAL OF HAZARDOUS MATERIALS,      [PMID:41218370] [10.1016/j.jhazmat.2025.140415]
19. Wang Tielin, Ji Jiahao, Wen Jingli, Yang Zhaoxia, Lin Tao, Lian Fang, Meng Nan, Shao Huiping.  (2026)  Effect of polyethylene oxide on 3D-printed PEO/LFP–PEO–PVDF composite electrodes.  JOURNAL OF MATERIALS SCIENCE,      [PMID:] [10.1007/s10853-026-12317-7]
20. Li Jiang, Junchang Xie, Jianfeng Wang, Yili Yi, Runxin Zhou, Dingyuan Guo, Yu Wang, Xiao Zeng, Mingxuan Shi, Jianing Ding, Jiadi Wu, Jun Zhao, Siyu Feng, Nan Wang, Qian Shen, Yuping Yin, Mingchang Li, Yugang Wang.  (2026)  Neuroprotective response against the onset of ischemic stroke by upregulation of histone H3Y99 sulfation.  Cell Reports Medicine,  (3):   [PMID:41850229] [10.1016/j.xcrm.2026.102684]
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