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123-32-0

Basic Information
CAS No.: 123-32-0
Name: 2,5-Dimethylpyrazine
Article Data: 68
Cas Database
Molecular Structure:
Molecular Structure of 123-32-0 (2,5-Dimethylpyrazine)
Formula: C6H8N2
Molecular Weight: 108.143
Synonyms: NSC 49139;2.5-dimethyl pyrazine;2,5-Dimethyl pyrazine;AI3-60303;CCRIS 2929;FEMA No. 3272;
EINECS: 204-618-3
Density: 0.997 g/cm3
Melting Point: 15 °C
Boiling Point: 155 °C at 760 mmHg
Flash Point: 63.9 °C
Solubility: N/A
Appearance: clear colorless to pale yellow liquid
Hazard Symbols: HarmfulXn,IrritantXi
Risk Codes: 22-36/37/38
Safety: 26-36
Transport Information: N/A
PSA: 25.78000
LogP: 1.09340
Synthetic route
78-96-6, 1674-56-2

3-amino-2-propanol

123-32-0

2,5-dimethyl-pyrazine

Conditions
ConditionsYield
87%
85%
With copper oxide-chromium oxide catalyst at 275℃;
22868-76-4

2,5-dimethylpyrimidine

A

123-32-0

2,5-dimethyl-pyrazine

B

1558-17-4

4,6-dimethylpyrimidine

Conditions
ConditionsYield
under 1 - 1.5 Torr; for 0.0833333h; Irradiation;A 62%
B 31%
95-89-6

2,5-dimethyl-3-chloropyrazine

557-20-0

diethylzinc

A

123-32-0

2,5-dimethyl-pyrazine

B

13360-65-1

2-ethyl-3,6-dimethylpyrazine

Conditions
ConditionsYield
With tetrakis(triphenylphosphine) palladium(0); potassium carbonate In N,N-dimethyl-formamide Heating;A 49%
B 25%
95-89-6

2,5-dimethyl-3-chloropyrazine

A

123-32-0

2,5-dimethyl-pyrazine

B

13360-65-1

2-ethyl-3,6-dimethylpyrazine

Conditions
ConditionsYield
With tetrakis(triphenylphosphine) palladium(0); diethylzinc; potassium carbonate In N,N-dimethyl-formamide Heating;A 49%
B 25%
60175-11-3

1-ethoxycarbonylamino-2,5-dimethyl-pyrazinium betaine

A

123-32-0

2,5-dimethyl-pyrazine

B

60148-16-5

ethyl 3-methylpyrazole-N-carboxylate

Conditions
ConditionsYield
In benzene for 3h; Irradiation;A 30%
B 45%
6168-72-5

2-Amino-1-propanol

123-32-0

2,5-dimethyl-pyrazine

Conditions
ConditionsYield
With C39H31BMnNO2P2; potassium hydride In toluene at 150℃; for 48h;45%
870544-21-1

1-azido-3-methylpentan-2-one

4504-27-2

1-azidopropan-2-one

A

123-32-0

2,5-dimethyl-pyrazine

B

32435-26-0

2,5-bis(1-methylpropyl)pyrazine

C

29461-07-2

2-methyl-5-(1-methylpropyl)pyrazine

Conditions
ConditionsYield
With triphenylphosphine In benzene at 20℃; for 24h;A 36%
B 20%
C 34%
1558-17-4

4,6-dimethylpyrimidine

A

22868-76-4

2,5-dimethylpyrimidine

B

123-32-0

2,5-dimethyl-pyrazine

Conditions
ConditionsYield
under 1 - 1.5 Torr; for 0.0833333h; Irradiation;A 31%
B 31%
7737-17-9

1-aminopropan-2-one hydrochloride

123-32-0

2,5-dimethyl-pyrazine

Conditions
ConditionsYield
With air; sodium acetate In methanol at 60℃;30%
123-91-1

1,4-dioxane

78-96-6, 1674-56-2

3-amino-2-propanol

A

123-32-0

2,5-dimethyl-pyrazine

B

106-55-8

2,5-dimethylpiperazine

Conditions
ConditionsYield
With tributylphosphine; ruthenium trichlorideA n/a
B 13.3%
With tributylphosphine; ruthenium trichlorideA n/a
B 13.3%
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Chemistry

The Molecular Structure of 2,5-Dimethylpyrazine (CAS NO.123-32-0):


Empirical Formula: C6H8N2
Molecular Weight: 108.1411  
IUPAC Name: 2,5-dimethylpyrazine   
Appearance: clear colorless to pale yellow liquid
Nominal Mass: 108 Da
Average Mass: 108.1411 Da
Monoisotopic Mass: 108.068748 Da 
Index of Refraction: 1.503
Molar Refractivity: 32.08 cm3
Molar Volume: 108.4 cm3
Surface Tension: 38.9 dyne/cm
Density: 0.997 g/cm3
Flash Point: 63.9 °C
Enthalpy of Vaporization: 37.56 kJ/mol
Boiling Point: 155 °C at 760 mmHg
Vapour Pressure: 3.98 mmHg at 25 °C
pKa Dissociation Constant: 1.85 at 27 °C
log P (octanol-water): 0.63
Henry's Law Constant: 3.55E-06 atm-m3/mole at 25 °C
Atmospheric OH Rate Constant: 1.01E-12 cm3/molecule-sec at 25 °C
InChI
InChI=1/C6H8N2/c1-5-3-8-6(2)4-7-5/h3-4H,1-2H3 
Smiles
c1(cnc(C)cn1)C 
Product Categories: Pyrazines;Pyrazine;Heterocyclic Compounds;Acipimox;Mono- & Polyalkylpyrazines;pyrazine Flavor;Building Blocks;Heterocyclic Building Blocks;Alphabetical Listings;C-D;Flavors and Fragrances;Pyrazine compounds 
Synonyms: AI3-60303 ; CCRIS 2929 ; EINECS 204-618-3 ; FEMA No. 3272 ; UNII-V99Y0MUY1Q  

Uses

 2,5-Dimethylpyrazine (CAS NO.123-32-0) can be used in chocolate cocoa powder, chocolate, coffee, fried, nut hazelnut, nut peanut.

Toxicity Data With Reference

1.    

mmo-smc 3300 µg/L

    FCTXAV    Food and Cosmetics Toxicology. 18 (1980),581.
2.    

cyt-ham:ovr 2500 µg/L

    FCTXAV    Food and Cosmetics Toxicology. 18 (1980),581.
3.    

orl-rat LD50:1020 mg/kg

    DCTODJ    Drug and Chemical Toxicology. 3 (1980),249.
4.    

ipr-mus LD50:1350 mg/kg

    TXAPA9    Toxicology and Applied Pharmacology. 17 (1970),244.


RTECS  :UQ2800000

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Moderately toxic by ingestion and intraperitoneal routes. Mutation data reported. Flammable liquid when exposed to heat, open flame, spark, oxidizers. To fight fire, use water spray, mist, dry chemical, CO2, foam. When heated to decomposition it emits toxic fumes of NOx.
Hazard Codes: IrritantXiHarmfulXn
Risk Statements: 22-36/37/38 
R22: Harmful if swallowed
R36/37/38: Irritating to eyes, respiratory system and skin
Safety Statements: 26-36 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
S36: Wear suitable protective clothing
WGK Germany: 3
RTECS: UQ2800000
Hazard Note: Irritant

Specification

 2,5-Dimethylpyrazine (CAS NO.123-32-0) is also called as 2,5-Dimethyl-1,4-diazine ; Pyrazine, 2,5-dimethyl- ; 2,5-Dimethylparadiazine ; 2,5-Dimethylpyrazine (natural) .