2,5-Dimethylpyrazine (123-32-0),2,5-Dimethylpyrazine (123-32-0) Manufacturers & Suppliers,Synthesis,MSDS

Basic information

Name:
2,5-Dimethylpyrazine
CAS No.:
123-32-0
Molecular Structure:
Formula:
C₆H₈N₂
Molecular Weight:
108.16
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
Appearance:
clear colorless to pale yellow liquid
Hazard Symbols:
Xn,Xi
Risk Codes:
22-36/37/38
Safety Description:
26-36 Details

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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 NO_x.
Hazard Codes: Irritant Xi Harmful Xn
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) .