2-Methylquinoxaline

HCID 23686
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Basic information

CAS
7251-61-8
Standard SMILES
Cc1cnc2ccccc2n1
InChIKey
ALHUXMDEZNLFTA-UHFFFAOYSA-N
Molecular formula
C9H8N2
Average molar mass
144.17 g/mol
Monoisotopic mass
144.06874826

Overview

2-methylquinoxaline is a quinoxaline derivative in which the quinoxaline (1,4-naphthyridine) skeleton is substituted at C-2 with a methyl group.

Names & identifiers

Preferred name
2-Methylquinoxaline
IUPAC
2-methylquinoxaline
English name
2-Methylquinoxaline
Molecular formula
C9H8N2
Molecular weight
144.17

Names & synonyms

2-METHYLQUINOXALINE7251-61-8Quinoxaline, 2-methyl-03VU31MV6JCHEBI:132812NSC-65587DTXSID50222831RefChem:88384DTXCID80145322230-664-9MFCD000067272-methyl-quinoxaline
Show more names
2-Methylchinoxalin2-methyl-quinoxalin3-Methylquinoxaline2-MethylbenzopyrazineQuinoxaline,2-methyl-2-Methylquinoxaline>2-Methylquinoxaline,~96%2-METHYLQUINOXALINE 97+%2-Methylquinoxaline, 97% 25GR
2-Methyl quinoxalineCCRIS 2948EINECS 230-664-9NSC 65587BRN 0113307UNII-03VU31MV6JAI3-50958methyl-quinoxaline

Database identifiers

CAS
7251-61-8
PubChem CID
23686
DTXSID
DTXSID50222831
ChEMBL
CHEMBL3287983
ChEBI
CHEBI:132812
UNII
03VU31MV6J
EC Number
230-664-9
Nikkaji
J84.970G

Properties

Computed structural properties

XLogP
1.6
Topological polar surface area
25.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
0
Heavy atoms
11

Experimental & physicochemical properties

SpringerMaterials Properties15N nuclear magnetic resonance spectrum
LogP1.61

Physicochemical properties

Melting point
180.5 °C · 180.5°C
Boiling point
245 · 245-247 °C (lit.)
Density
1.118 g/mL · 1.118 g/mL at 25 °C (lit.)
refractive index
20 · n20/D 1.613(lit.)
Flash point
225 °F · 225 °F
storage temp.
Inert atmosphere,Room Temperature

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 2.1% (1 of 47) of reports.

Warning

H315 (97.9%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 3 items

Chemical: Quinoxaline, 2-methyl-

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

Quinoxaline, 2-methyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (97.9%)

Safety data

F
10
PPE
Eyeshields, Gloves, type ABEK (EN14387) respirator filter
wgk
3
rtecs
VD3450000
hs_code
29339900
risk_code
36/37/38

Chemistry & industry

Applications

Usesflavors and fragrances

General Description2-Methylquinoxaline is a heterocyclic compound used in roasted and meat flavoring. It is one of the volatile compounds formed during the thermal reaction between L-cysteine and dihydroxyacetone in glycerine.

Upstream & downstream products

Suppliers100 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]

Additional notes

DefinitionChEBI: A quinoxaline derivative in which the quinoxaline (1,4-naphthyridine) skeleton is substituted at C-2 with a methyl group.

Related reactions

28 records
New reaction record

Compound notes

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