2-ethylpyrazine

• ChemBase ID: 9979
• Molecular Formular: C6H8N2
• Molecular Mass: 108.14112
• Monoisotopic Mass: 108.06874827
• SMILES: CCc1cnccn1
• Canonical SMILES: CCc1cnccn1
• InChI: InChI=1S/C6H8N2/c1-2-6-5-7-3-4-8-6/h3-5H,2H2,1H3
• InChIKey: KVFIJIWMDBAGDP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethylpyrazine
• IUPAC Traditional name: 2-ethyl pyrazine
• Synonyms: Ethylpyrazine; Ethylpyrazine; 2-Ethylpyrazine; Ethylpyrazine; 2-ETHYLPYRAZINE; 乙基吡嗪; 2-乙基吡嗪; 乙基吡嗪

Database IDs

• CAS Number: 13925-00-3
• EC Number: 237-691-5
• MDL Number: MFCD00006149
• Beilstein Number: 108200
• PubChem SID: 160973286; 24901605; 24855054
• PubChem CID: 26331
• FEMA ID: 3281
• Council of Europe Number: 2213
• Flavis Number: 14.022

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.3697826
• LogD (pH = 7.4): 0.36980668
• Log P: 0.36980698
• Molar Refractivity: 30.9626 cm^3
• Polarizability: 12.138677 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 152-153 °C(lit.); 152-153°C; 152-153°C
• Flash Point: 23 °C; 42°C(107°F); 73.4 °F
• Density: 0.984; 0.984 g/mL at 25 °C(lit.); 0.988; 0.99 g/ml
• Refractive Index: 1.4980; n20/D 1.498(lit.)
• Hydrophobicity(logP): 0.716
• Organoleptic: butter; musty; woody; nutty

Safety Information

• Storage Warning: IRRITANT
• RTECS: UQ3330000
• European Hazard Symbols: Irritant (Xi); Harmful (Xn)
• UN Number: 1993; UN1993
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 3; III
• Risk Statements: 10-22-37/38-41; 10-36/37/38
• Safety Statements: 23-26-37; 26-39
• TSCA Listed: true; 是
• GHS Pictograms: GHS02; GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H226-H302-H315-H318-H335; H226-H315-H319-H335
• GHS Precautionary statements: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A; P261-P280-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1993 3/PG 3
• Regulation Compliance: EU Regulation 1334/2008 & 178/2002

Pharmacology Properties

• Allergens: no known allergens

Product Information

• Purity: ≥98%; 95%; 98%; 99%
• Grade: FG; Halal; Kosher; NI
• Empirical Formula (Hill Notation): C6H8N2

DETAILS

MP Biomedicals - 02151102

1 ml = approx. 0.99 g

Sigma Aldrich - W328103

Packaging
1 kg in glass bottle
1 sample in glass bottle
100, 250 g in glass bottle
5 kg in poly drum

Sigma Aldrich - 250384

Packaging
5, 25 g in glass bottle