2-Methylnaphthalene - analytical standard, for environmental analysis , CAS No.91-57-6

CAS: 91-57-6 Cat. No.: M119488 분자식: C₁₁H₁₀ 분자량: 142.2 Beilstein Registry Number: 906859 EC 번호: 202-078-3

GRADE & PURITY Analytical standard, for Environmental analysis

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

Storage

Room temperature

Shipped In

FedEx DG Service

Specifications

동의어

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

사양 및 순도

analytical standard, for environmental analysis

보관 조건

Room temperature

배송

FedEx DG Service

등급

분석 표준물질, 환경 분석을 위해

이름과 식별자

• Pubchem Sid: 528757388
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/528757388
• 정식 스마일: CC1=CC2=CC=CC=C2C=C1
• IUPAC Name: 2-methylnaphthalene
• InChIKey: QIMMUPPBPVKWKM-UHFFFAOYSA-N
• INCHI: 1S/C11H10/c1-9-6-7-10-4-2-3-5-11(10)8-9/h2-8H,1H3
• 이성체 SMILES: CC1=CC2=CC=CC=C2C=C1
• WGK 독일: 2
• RTECS: QJ9635000
• UN 번호: 3082
• 포장 그룹: III
• 분자량: 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=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Naphthalenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: 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
• 설명: 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.

DOI: 10.1186/s13321-016-0174-y

관련 대상(인간)

CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)

Discover Target: CYP1A2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CYP2A6 Tchem Cytochrome P450 2A6 (2861 Activities)

Discover Target: CYP2A6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

관련 대상(비인간)

Cyp2a5 Cytochrome P450 2A5 (126 Activities)

Discover Target: Cyp2a5

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

작용 메커니즘

화학 및 물리적 특성

• 굴절률: 1.6019
• 발화점(°F): 208.4 °F
• 발화점(°C): 98℃
• 끓는점(°C): 241-242°C
• 녹는점(°C): 34.58°C
• 분자량: 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

참고 문헌

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,      [PMID:] [10.1021/acs.iecr.3c01388]

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,      [PMID:] [10.1016/j.microc.2023.108638]

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,      [PMID:] [10.1016/j.snb.2018.05.101]

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,      [PMID:29534806] [10.1016/j.aca.2018.01.048]

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,      [PMID:27423773] [10.1016/j.chroma.2016.07.029]

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,      [PMID:27209452] [10.1016/j.biortech.2016.05.027]

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,      [PMID:26456513] [10.1016/j.chroma.2015.09.059]

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,      [PMID:] [10.1021/je5010627]

9. Huijun Liu, Hong Wang, Caixia Li, Lichao Wang, Zaifa Pan, Lili Wang.  (2013)  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,      [PMID:24321761] [10.1016/j.jchromb.2013.11.038]

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,      [PMID:] [10.1016/j.fuel.2024.131169]

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,      [PMID:] [10.1016/j.psep.2025.106968]

12. Fanyuan Zhang, Youcai Zhu, Jiongyi Chen, Xinyi Yang, Zhen Liu, Zuoxiang Zeng, Li Sun.  (2025)  Insights into the Mechanism of 2-Methylnaphthalene Friedel–Crafts Acetylation Catalyzed by AlCl3: A Combined Experimental and Theoretical Study.  INORGANIC CHEMISTRY,      [PMID:40500883] [10.1021/acs.inorgchem.5c01289]

13. Huiyi Ye, Zhancheng Fan, Wei Ding, Yu Chang, Dayi Deng.  (2026)  Closed-loop remediation of coal tar dense non-aqueous phase liquids (DNAPLs): Electrical resistance heating (ERH)-enhanced ionic liquid flushing with integrated activated carbon regeneration.  Journal of Environmental Chemical Engineering,  14  (5): (123755).  [PMID:] [10.1016/j.jece.2026.123755]

14. Ruomu Chen, Yumeng Niu, Nan Li, Jingrui Peng, Ziqian Xia, Chenyang Wang, Jiandong Jiang, Kai Chen.  (2026)  Molecular basis of 1-nitronaphthalene and 2-nitronaphthalene biodegradation by Burkholderia pseudomultivorans M3 and its bioremediation potential.  JOURNAL OF HAZARDOUS MATERIALS,      [PMID:42546654] [10.1016/j.jhazmat.2026.143131]