HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 33166Erstellt: 3. November 2026
2-Isopropyl-3-methoxypyrazin
Bean pyrazine · Pyrazine, 2-methoxy-3-(1-methylethyl)- · 2-METHOXY-3-ISOPROPYLPYRAZINE · FEMA 3358 · 3-isopropyl-2-methoxypyrazine · 47527-u · FEMA NUMBER 3358 · Thymol Impurity?39
https://huagongshe.com/de/chemical/33166
Identifikatoren & physikalische Daten
| CAS No. | 25773-40-4 |
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| Summenformel | C8H12N2O |
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| Durchschnittliche Molmasse | 152,19 g/mol |
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| Monoisotopische Masse | 152,09496301 g/mol |
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| SMILES | COc1nccnc1C(C)C |
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| InChIKey | NTOPKICPEQUPPH-UHFFFAOYSA-N |
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| PubChem CID | 33166 |
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| ChEMBL | CHEMBL96852 |
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| EC No. | 247-256-1 |
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| DTXSID | DTXSID4067147 |
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| Lokaler Name | 2-Isopropyl-3-methoxypyrazin |
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Chemische & physikalische Eigenschaften
| XLogP | 2 |
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| Polarare Oberfläche (TPSA) | 35 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 3 |
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| Frei drehbare Bindungen | 2 |
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| Schwere Atome | 11 |
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| Formalladung | 0 |
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| Komplexität | 117 |
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| Arzneimittel | Pharmaceuticals -> Listed in ZINC15 |
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| Duftstoffe | Fragrance Ingredient (2-Methoxy-3(5 and 6)-isopropylpyrazine) -> IFRA transparency List |
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| Aromastoffe | EU Flavoring substances |
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| Siedepunkt | 120.00 to 125.00 °C. @ 20.00 mm Hg120-125 °C (20 mmHg) |
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| Dichte | 0.996 g/mL at 25 °C (lit.) |
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| Brechungsindex | n20/D 1.494(lit.) |
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| FEMA | 3358 | 2-METHOXY-3(5 AND 6)-ISOPROPYLPYRAZINE |
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| Flammpunkt | 152 °F |
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| Lagerbedingungen | Sealed in dry,Room Temperature |
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| pKa (Säurekonstante) | 0.81±0.10(Predicted) |
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| Aggregatzustand | clear liquid |
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| Farbe | Colorless to Orange to Green |
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| Geruch | green pea odor |
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| Biologische Quelle | synthetic |
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| Geruchsart | earthy |
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| JECFA Number | 790 |
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| Henry-Konstante | 2.1×101 mol/(m3Pa) at 25℃, Wu et al. (2022) |
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| Kosmetik-Inhaltsstoffe Funktionen | PERFUMING |
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| InChI | 1S/C8H12N2O/c1-6(2)7-8(11-3)10-5-4-9-7/h4-6H,1-3H3 |
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| InChIKey | NTOPKICPEQUPPH-UHFFFAOYSA-N |
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| SMILES | COc1nccnc1C(C)C |
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| LogP (Verteilungskoeffizient) | 2.37 |
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| CAS Datenbank | 25773-40-4(CAS DataBase Reference) |
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| NIST chemische Informationen | Pyrazine, 2-methoxy-3-(1-methylethyl)-(25773-40-4) |
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| EPA chemische Informationen | Pyrazine, 2-methoxy-3-(1-methylethyl)- (25773-40-4) |
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Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 5.9% (86 of 1452) of reports.WarningH302 (88.8%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 1452 reports by companies from 10 notifications to the ECHA C&L Inventory. |
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| Regulatorische Informationen | Chemical: Pyrazine, 2-methoxy-3-(1-methylethyl)-Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)Pyrazine, 2-methoxy-3-(1-methylethyl)-: Does not have an individual approval but may be used under an appropriate group standardPyrazine, methoxy(1-methylethyl)-: Does not have an individual approval but may be used under an appropriate group standard |
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| Weitere Sicherheitsinformationen | IMAP assessments - Pyrazine, 2-methoxy-3-(1-methylethyl)-: Environment tier I assessment |
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| Hazard Classes and Categories | Acute Tox. 4 (88.8%)Skin Irrit. 2 (100%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| TSCA-Inventar-Status | TSCA listed |
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| UN-Transportnummer | UN 1230 3/PG 2 |
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| Zollcode | 29339900 |
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| R-Sätze (R) | 36/37/38-39/23/24/25-23/24/25-11 |
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| Gefahrensymbole | Xi,T,F |
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| Sicherheitshinweise (S) | 26-36/37/39-24/25-45-36/37-16-7-36/37/38 |
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| Lagerklasse | 10 - Combustible liquids |
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| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
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