Pyrazine, 2-methoxy-5-(2-methylpropyl)-
Basic information
- CAS
36330-05-9- Standard SMILES
COc1cnc(CC(C)C)cn1- InChIKey
UUQFBIDVEIWACK-UHFFFAOYSA-N- Molecular formula
- C9H14N2O
- Average molar mass
- 166.22 g/mol
- Monoisotopic mass
- 166.11061307
Names & identifiers
- Preferred name
- Pyrazine, 2-methoxy-5-(2-methylpropyl)-
- IUPAC
- 2-methoxy-5-(2-methylpropyl)pyrazine
- English name
- 2-Methoxy-5-(2-methylpropyl)pyrazine
- Molecular formula
- C9H14N2O
- Molecular weight
- 166.22
Names & synonyms
Pyrazine, 2-methoxy-5-(2-methylpropyl)-2-Methoxy-5-(2-methylpropyl)pyrazine36330-05-9DTXSID80885650RefChem:177445DTXCID801025015UUQFBIDVEIWACK-UHFFFAOYSA-N2-Isobutyl-5-methoxypyrazine #SCHEMBL30665043NS00114095
Database identifiers
- CAS
36330-05-9- PubChem CID
- 118950
- DTXSID
DTXSID80885650- EC Number
- 801-778-1
- Nikkaji
- J422.355A
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 35 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 128
Physicochemical properties
- Boiling point
- 221.8 · 221.8±35.0 °C(Predicted)
- Density
- 1 · 1.000±0.06 g/cm3(Predicted)
- pka
- 0.8 · 0.80±0.10(Predicted)
- LogP
- 2.566 · 2.566 (est)
- EPA Substance Registry System
- 2 · Pyrazine, 2-methoxy-5-(2-methylpropyl)- (36330-05-9)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H335-H315
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 11 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H335-H315
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPyrazine, 2-methoxy-5-(2-methylpropyl)-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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