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2-Methylnaphthalene - 97%, high purity , CAS No.91-57-6
Basic Description
Synonyms
InChI=1/C11H10/c1-9-6-7-10-4-2-3-5-11(10)8-9/h2-8H,1H | CAS-91-57-6 | NCGC00258393-01 | 2-Methylnaphthalene 10 microg/mL in Cyclohexane | 2-methyl naphthalene | AC-615 | Z104476894 | DTXCID60878 | NCGC00091415-01 | EC 202-078-3 | CHEBI:50720 | S8MCX3C16H
Specifications & Purity
≥97%
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Naphthalenes
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Naphthalenes
Alternative Parents
Aromatic hydrocarbons Polycyclic hydrocarbons Unsaturated hydrocarbons
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Naphthalene - Aromatic hydrocarbon - Polycyclic hydrocarbon - Unsaturated hydrocarbon - Hydrocarbon - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.
External Descriptors
methylnaphthalene
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.
Associated Targets(Human)
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
Pubchem Sid
488180266
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/488180266
IUPAC Name
2-methylnaphthalene
INCHI
InChI=1S/C11H10/c1-9-6-7-10-4-2-3-5-11(10)8-9/h2-8H,1H3
InChIKey
QIMMUPPBPVKWKM-UHFFFAOYSA-N
Smiles
CC1=CC2=CC=CC=C2C=C1
Isomeric SMILES
CC1=CC2=CC=CC=C2C=C1
WGK Germany
2
RTECS
QJ9635000
UN Number
3082
Packing Group
III
Molecular Weight
142.2
Beilstein
906859
Reaxy-Rn
906859
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=906859&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Solubility
Insoluble in water. Soluble in alcohol, chloroform, methanol.
Sensitivity
Moisture sensitive.
Refractive Index
1.6019
Flash Point(°F)
208.4 °F
Flash Point(°C)
98℃
Boil Point(°C)
241-242°C
Melt Point(°C)
34.58°C
Molecular Weight
142.200 g/mol
XLogP3
3.900
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
0
Rotatable Bond Count
0
Exact Mass
142.078 Da
Monoisotopic Mass
142.078 Da
Topological Polar Surface Area
0.000 Ų
Heavy Atom Count
11
Formal Charge
0
Complexity
128.000
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
Citations of This Product
1.
Jingtao Guo, Chao Pan, Bingxiao Feng, Xiaomin Qiu, Quanhong Zhu, Hongbing Song, Hengjun Gai, Meng Xiao, Tingting Huang.
(2023)
Conceptual Design and Development of an Environment-Friendly Process for Simultaneous Extraction of Phenol and Naphthalene Compounds from Tar. INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH,
62
(38):
(15553–15562).
2.
Rui Shi, Yipeng Huang, Yanqun Yang, Zhuqiang Wu, Zhengyi Chen, Guihua Ruan.
(2023)
Synthesis of spherical amine-functionalized silica molecular sieve and application as selective adsorbents for aromatic hydrocarbons analysis. MICROCHEMICAL JOURNAL,
190
(108638).
3.
Qinghua He, Tian Guan, Yonghong He, Bangrong Lu, Dongmei Li, Xuejing Chen, Guangxia Feng, Siyu Liu, Yanhong Ji, Meiguo Xin.
(2018)
Digital encoding based molecular imprinting suspension array for multiplexed label-free sensing of phenol derivatives. SENSORS AND ACTUATORS B-CHEMICAL,
271
(367).
4.
Yinhui Yang, Zhengfeng Chang, Xiaohong Yang, Meiling Qi, Jinliang Wang.
(2018)
Selectivity of hexaphenylbenzene-based hydrocarbon stationary phase with propeller-like conformation for aromatic and aliphatic isomers. ANALYTICA CHIMICA ACTA,
1016
(69).
5.
Xiaohong Yang, Changxia Li, Meiling Qi, Liangti Qu.
(2016)
Graphene-ZIF8 composite material as stationary phase for high-resolution gas chromatographic separations of aliphatic and aromatic isomers. JOURNAL OF CHROMATOGRAPHY A,
1460
(173).
6.
Yimeng Wang, Jie Wang.
(2016)
Multifaceted effects of HZSM-5 (Proton-exchanged Zeolite Socony Mobil-5) on catalytic cracking of pinewood pyrolysis vapor in a two-stage fixed bed reactor. BIORESOURCE TECHNOLOGY,
214
(700).
7.
Chengjiang Zhang, Gongke Li, Zhuomin Zhang.
(2015)
A hydrazone covalent organic polymer based micro-solid phase extraction for online analysis of trace Sudan dyes in food samples. JOURNAL OF CHROMATOGRAPHY A,
1419
(1).
8.
Fang Zhang, Yaocun Tang, Long Wang, Li Xu, Guoji Liu.
(2015)
Solubility Determination and Thermodynamic Models for 2-Methylnaphthalene in Different Solvents from T = (278.15 to 303.15) K. JOURNAL OF CHEMICAL AND ENGINEERING DATA,
60
(6):
(1699–1705).
9.
Huijun Liu, Hong Wang, Caixia Li, Lichao Wang, Zaifa Pan, Lili Wang.
(2014)
Investigation of volatile organic metabolites in lung cancer pleural effusions by solid-phase microextraction and gas chromatography/mass spectrometry. JOURNAL OF CHROMATOGRAPHY B-ANALYTICAL TECHNOLOGIES IN THE BIOMEDICAL AND LIFE SCIENCES,
945-946
(53).
10.
Qiuxiang Yao, Lei He, Duo Ma, Yong Zhang, Dan Zhang, Ming Sun.
(2024)
Catalytic hydro-dealkylation of 2-methylnaphthalene with catalysts loaded W/La for conversion to naphthalene. FUEL,
364
(131169).
11.
Zhentao Wang, Jian Zhang, Shanshan Guo, Yufei Cai, Ling Ma, Yuting Huang, Shucheng Wu, Weibing Wu, Weirong Zhao.
(2025)
Highly selective production of aromatics via co-pyrolysis of pine sawdust and polypropylene in binary molten chlorides combined with commercial HZSM-5 catalysts. PROCESS SAFETY AND ENVIRONMENTAL PROTECTION,
197
(106968).
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11 Citations
C2112307