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2-Methylthiophene - 99%, high purity , CAS No.554-14-3
Basic Description
Synonyms
FT-0613093 | UNII-7115JAP77A | Thiophene, 2-methyl- | AKOS000120897 | a-Thiotolene | BCP27458 | CHEBI:141567 | M0635 | 2-Methylthiophene, analytical standard | DTXSID3060291 | EINECS 209-063-0 | AC-16543 | alpha-Methylthiophene | F10310 | AMY23234 | 7115J
Specifications & Purity
≥99%
Storage Temp
Argon charged
Shipped In
Normal
Product Description
application：
2-Methylthiophene, is used as a flavoring agent that naturally occurs in grilled and roasted beef, papaya, cooked shrimp, whiskey, and in trace amounts in roasted chicken.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Heteroaromatic compounds
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Heteroaromatic compounds
Alternative Parents
Thiophenes Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Heteroaromatic compound - Thiophene - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as heteroaromatic compounds. These are compounds containing an aromatic ring where a carbon atom is linked to an hetero atom.
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.
Names and Identifiers
Pubchem Sid
488181267
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/488181267
IUPAC Name
2-methylthiophene
INCHI
InChI=1S/C5H6S/c1-5-3-2-4-6-5/h2-4H,1H3
InChIKey
XQQBUAPQHNYYRS-UHFFFAOYSA-N
Smiles
CC1=CC=CS1
Isomeric SMILES
CC1=CC=CS1
WGK Germany
3
RTECS
XM9625000
UN Number
1993
Molecular Weight
98.17
Beilstein
103734
Reaxy-Rn
103734
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=103734&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Solubility
Slightly soluble in water. Soluble in alcohol.
Sensitivity
Air Sensitive
Refractive Index
1.519-1.521
Flash Point(°F)
59 °F
Flash Point(°C)
8°C
Boil Point(°C)
113°C
Melt Point(°C)
-63°C
Molecular Weight
98.170 g/mol
XLogP3
2.300
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
0
Exact Mass
98.019 Da
Monoisotopic Mass
98.019 Da
Topological Polar Surface Area
28.200 Ų
Heavy Atom Count
6
Formal Charge
0
Complexity
43.200
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
Citations of This Product
1.
Tong Zhou, Xue Xia, Heping Cui, Khizar Hayat, Xiaoming Zhang, Chi-Tang Ho.
(2023)
Promotion or Inhibition Effects of Exogenous Glutathione-Degraded Amino Acids on the Formation of 2,3-Butanedione and Pyrazines via Varied Pathways of Interaction with α-Dicarbonyl Compounds Derived from N-(1-Deoxy-d-xylulos-1-yl)-alanine. JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY,
71
(39):
(14312–14321).
2.
Wenyang Fan, Chunliang Ge, Delong Ding, Liping Deng, Jun Gao, Dongmei Xu.
(2023)
Research on separation sulfides from fuel oil using sulfolane: Liquid-liquid equilibrium and mechanism exploration. JOURNAL OF CHEMICAL THERMODYNAMICS,
182
(107036).
3.
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,
10
4.
Tong Zhou, Xue Xia, Heping Cui, Yun Zhai, Foxin Zhang, Khizar Hayat, Xiaoming Zhang, Chi-Tang Ho.
(2023)
Cysteine-Induced pH-Dependent Formation of Thiols and Sulfides or 2-Acetylthiazole and Pyrazines during Thermal Treatment of N-(1-Deoxy-d-xylulos-1-yl)-alanine. JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY,
71
(5):
(2472–2481).
5.
Tong Zhou, Xue Xia, Heping Cui, Khizar Hayat, Xiaoming Zhang, Chi-Tang Ho.
(2022)
Competitive Formation of 2,3-Butanedione and Pyrazines through Intervention of Added Cysteine during Thermal Processing of Alanine-Xylose Amadori Compounds. JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY,
70
(48):
(15202–15212).
6.
Chunying Wei, Haiying Li.
(2022)
Benzothiazole Derivatives Targeting G-Quadruplex DNA: Synthesis, DNA Interaction and Living Cell Imaging. ChemistrySelect,
7
(35):
(e202202565).
7.
Linhui Feng, Heping Cui, Pusen Chen, Khizar Hayat, Xiaoming Zhang, Chi-Tang Ho.
(2022)
Promoted Formation of Pyrazines and Sulfur-Containing Volatile Compounds through Interaction of Extra-Added Glutathione or Its Constituent Amino Acids and Secondary Products of Thermally Degraded N-(1-Deoxy-d-ribulos-1-yl)-Glutathione. JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY,
70
(29):
(9095–9105).
8.
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,
383
(132611).
9.
Jing-jing Li, Xiao-Pu Zhang, Xiao-dong Tang, Miao Zhou, Chun Wang.
(2018)
Alkylation desulfurization of FCC gasoline catalyzed by glycerol-based solid acid catalyst. PETROLEUM SCIENCE AND TECHNOLOGY,
36
(6):
(463-468).
10.
Liu Ran, Zhang Juan, Xu Zhice, Zhao Dishun, Sun Shuang.
(2018)
Visible light photocatalytic oxidative desulfurization using Ti-MCM-41-loaded iron phthalocyanine combined with ionic liquid extraction. JOURNAL OF MATERIALS SCIENCE,
53
(7):
(4927-4938).
11.
Junzhi Li, Junqiang Wang, Wei Zhao, Xiaoliang Li.
(2016)
Isobaric (vapor + liquid) equilibria for 2-methylthiophene with n-heptane, 2,2,4-trimethylpentane, n-nonane and n-decane at 90.00 kPa. JOURNAL OF MOLECULAR LIQUIDS,
224
(125).
12.
Wenling Hu, Xiaolong Han, Liangliang Liu, Xin Zhang, Juanqin Xue, Baoyi Wang, Peng Zhang, Xingzhong Cao.
(2016)
PEG/PVDF membranes for separating organosulphur compounds from n-heptane: Effect of PEG molecular weight. CANADIAN JOURNAL OF CHEMICAL ENGINEERING,
95
(2):
(364-371).
13.
Chenhua Shu, Tonghua Sun.
(2016)
Extractive desulfurisation of gasoline with tetrabutyl ammonium chloride-based deep eutectic solvents. SEPARATION SCIENCE AND TECHNOLOGY,
14.
Zhe Wang, Li Junzhi, Zhao Wei, Li Xiao Liang.
(2024)
Isobaric (Vapor + Liquid) Equilibria for 2-Methylthiophene with 1-Octene, Cyclohexene, 2,3-Dimethyl-1-butene, and 2,3-Dimethyl-2-butene at 90.00 kPa. Russian Journal of Physical Chemistry A,
98
(13):
(3009-3016).
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14 Citations
G2123172