2,3-Dimethyl-5-(2-methylbutyl)pyrazine
Basic information
- CAS
75492-01-2- Standard SMILES
CCC(C)Cc1cnc(C)c(C)n1- InChIKey
QJQUDEDFDDMKGC-UHFFFAOYSA-N- Molecular formula
- C11H18N2
- Average molar mass
- 178.27 g/mol
- Monoisotopic mass
- 178.14699858
Names & identifiers
- Preferred name
- 2,3-Dimethyl-5-(2-methylbutyl)pyrazine
- IUPAC
- 2,3-dimethyl-5-(2-methylbutyl)pyrazine
- English name
- Pyrazine, 2,3-dimethyl-5-(2-methylbutyl)- (9CI)
- Molecular formula
- C11H18N2
- Molecular weight
- 178.27
Names & synonyms
2,3-dimethyl-5-(2-methylbutyl)pyrazine75492-01-2DTXSID80335948RefChem:81833DTXCID60287037662-698-9QJQUDEDFDDMKGC-UHFFFAOYSA-NSCHEMBL30665023dimethyl-6-(2'-methylbutyl)pyrazineAKOS006290967DB-087905Pyrazine, 2,3-dimethyl-5-(2-methylbutyl)
Show more names
Pyrazine, 2,3-dimethyl-5-(2-methylbutyl)-Pyrazine, 2,3-dimethyl-5-(2-methylbutyl)- (9CI)2,3-Dimethyl-5-(2-methylbutyl)pyrazine USP/EP/BP
Database identifiers
- CAS
75492-01-2- PubChem CID
- 528106
- DTXSID
DTXSID80335948- EC Number
- 662-698-9
- Nikkaji
- J3.091.854A
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 25.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 147
Physicochemical properties
- Density
- 0.927 g/mL · 0.927 g/mL at 25 °C
- refractive index
- 20 · n20/D1.494
- Flash point
- 99 ℃ · 99℃
- LogP
- 2.829 · 2.829 (est)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-P305+P351+P338
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22
- WGK Germany
- 1 · 1
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
H302 (100%): 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 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- wgk
- 1
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- Hazard statements
- H302
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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