Basic information
- CAS
25680-57-3- Standard SMILES
CCCc1nccnc1OC- InChIKey
WPWBOFKCKQCZIS-UHFFFAOYSA-N- Molecular formula
- C8H12N2O
- Average molar mass
- 152.19 g/mol
- Monoisotopic mass
- 152.09496301
Names & identifiers
- Preferred name
- 2-Methoxy-3-propylpyrazine
- IUPAC
- 2-methoxy-3-propylpyrazine
- English name
- 2-METHOXY-3-N-PROPYLPYRAZINE
- Molecular formula
- C8H12N2O
- Molecular weight
- 152.19
Names & synonyms
2-methoxy-3-propylpyrazine25680-57-3Pyrazine, 2-methoxy-3-propyl-2-Propyl-3-methoxypyrazineR9T4EE3Y4UCHEMBL-98018DTXSID70335997RefChem:474210DTXCID502870862-methoxy-3-n-propylpyrazineUNII-R9T4EE3Y4U2-methoxy-3-propyl pyrazine
Show more names
2-Methoxy-3-n-propylpyrazine in isooctane
CHEMBL98018Pyrazine, 2-methoxy-3-propylSCHEMBL2581673WPWBOFKCKQCZIS-UHFFFAOYSA-AKOS006271613NS00126407N'-[(E)-(4-Chlorophenyl)methylidene]-6-methylnicotinohydrazideInChI=1/C8H12N2O/c1-3-4-7-8(11-2)10-6-5-9-7/h5-6H,3-4H2,1-2H3
Database identifiers
- CAS
25680-57-3- PubChem CID
- 528308
- DTXSID
DTXSID70335997- ChEMBL
CHEMBL98018- UNII
- R9T4EE3Y4U
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 35 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 108
Experimental & physicochemical properties
FragrancesFragrance Ingredient (Pyrazine, 2-methoxy-3-propyl-) -> IFRA transparency List
Flavoring AgentsEU Flavoring substances
Physicochemical properties
- Boiling point
- 196.5 · 196.5±35.0 °C(Predicted)
- Density
- 1.019 · 1.019±0.06 g/cm3(Predicted)
- FLAVIS Number
- 14.127 · 14.127 | 2-Methoxy-3-propylpyrazine
- pka
- 1.01 · 1.01±0.10(Predicted)
- Odor
- 0.1 % · at 0.10 % in dipropylene glycol. earthy bell pepper raw potato galbanum
- Odor Type
- earthy
- LogP
- 2.194 · 2.194 (est)
- FDA UNII
- 9 T4EE3Y4U · R9T4EE3Y4U
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory Information
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Pyrazine, 2-methoxy-3-propyl-: Does not have an individual approval but may be used under an appropriate group standard
Chemistry & industry
Uses & manufacturing
Use ClassificationFragrance Ingredients
Suppliers3 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
BOC Sciences[email protected]
兰州康寓信生物科技有限公司0943-8293106 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…