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

CAS: 91-57-6 Cat. No.: M119488 Molecular Weight: 142.2 Beilstein Registry Number: 906859 EC Number: 202-078-3
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GRADE & PURITY Analytical standard ? Analytical standard — certified-purity material for quantitative calibration. Use to prepare calibration standards and validate analytical methods. for Environmental analysis ? Environmental-analysis grade — low background for trace pollutants in water/soil/air. Use in environmental testing where contamination skews trace results.
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
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Status
Price
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1g
M119488-1g
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$55.90
5g
M119488-5g
2
$251.90
10g
M119488-10g
3

$374.90

$455.90
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Why this grade

analytical standard, for environmental analysis Analytical standard,for Environmental analysis for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships FedEx DG Service 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 12 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

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
analytical standard, for environmental analysis
Storage
Room temperature
Shipped In
FedEx DG Service
This product requires cold chain shipping. Ground and other economy services are not available.
Grade
Analytical standard, for Environmental analysis
Names and Identifiers
Canonical SmilesCC1=CC2=CC=CC=C2C=C1
IUPAC Name2-methylnaphthalene
InChIKeyQIMMUPPBPVKWKM-UHFFFAOYSA-N
INCHI1S/C11H10/c1-9-6-7-10-4-2-3-5-11(10)8-9/h2-8H,1H3
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=

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.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClassNaphthalenes
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentNaphthalenes
Alternative Parents Aromatic hydrocarbons  Polycyclic hydrocarbons  Unsaturated hydrocarbons  
Molecular FrameworkAromatic homopolycyclic compounds
Substituents Naphthalene - Aromatic hydrocarbon - Polycyclic hydrocarbon - Unsaturated hydrocarbon - Hydrocarbon - Aromatic homopolycyclic compound
DescriptionThis 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
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2A6 Tchem Cytochrome P450 2A6 (2861 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Cyp2a5 Cytochrome P450 2A5 (126 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.

10 results found

Lot NumberCertificate TypeDateItem
C2514199Certificate of AnalysisJul 01, 2024 M119488
C2604134Certificate of AnalysisJul 01, 2024 M119488
F2426258Certificate of AnalysisJul 01, 2024 M119488
H2507113Certificate of AnalysisJul 01, 2024 M119488
D2303714Certificate of AnalysisJul 28, 2022 M119488
E2410023Certificate of AnalysisJul 28, 2022 M119488
H2209588Certificate of AnalysisJul 28, 2022 M119488
H2209597Certificate of AnalysisJul 28, 2022 M119488
H2209718Certificate of AnalysisJul 28, 2022 M119488
G1407034Certificate of AnalysisApr 27, 2022 M119488
Chemical and Physical Properties
Refractive Index1.6019
Flash Point(°F)208.4 °F
Flash Point(°C)98℃
Boil Point(°C)241-242°C
Melt Point(°C)34.58°C
Molecular Weight142.200 g/mol
XLogP33.900
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Exact Mass142.078 Da
Monoisotopic Mass142.078 Da
Topological Polar Surface Area0.000 Ų
Heavy Atom Count11
Formal Charge0
Complexity128.000
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. 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]
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