2,3-Dimethyl-5-(2-methylpropyl)pyrazine
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Basic information
- CAS
54410-83-2- Standard SMILES
Cc1ncc(CC(C)C)nc1C- InChIKey
HPAYBTQBMQPWCN-UHFFFAOYSA-N- Molecular formula
- C10H16N2
- Average molar mass
- 164.25 g/mol
- Monoisotopic mass
- 164.13134852
Overview
a trail pheromone component of ant Eutetramorium mocquerysi; structure in first source
Names & identifiers
- Preferred name
- 2,3-Dimethyl-5-(2-methylpropyl)pyrazine
- IUPAC
- 2,3-dimethyl-5-(2-methylpropyl)pyrazine
- English name
- 5-ISOBUTYL-2,3-DIMETHYLPYRAZINE
- Molecular formula
- C10H16N2
- Molecular weight
- 164.25
Names & synonyms
2,3-dimethyl-5-(2-methylpropyl)pyrazineRefChem:9086612,3-DMPP5-Isobutyl-2,3-dimethylpyrazine54410-83-22,3-dimethyl-5-isobutylpyrazine5-Isobutyl-2,3-dimethyl-pyrazinePyrazine, 2,3-dimethyl-5-(2-methylpropyl)-MFCD06200839CHEMBL330169SCHEMBL9953928SCHEMBL31374320
Show more names
5-Isobutyl-2,3-dimethylpyrazine 97%2,3-Dimethyl-5-isobutylpyrazine USP/EP/BP
DTXSID40335949HPAYBTQBMQPWCN-UHFFFAOYSA-NPyrazine, 2,3-dimethyl-5-isobutylAKOS0062952235-Isobutyl-2,3-dimethylpyrazine, 97%DB-019782NS00113953
Database identifiers
- CAS
54410-83-2- PubChem CID
- 528108
- DTXSID
DTXSID40335949- ChEMBL
CHEMBL330169- EC Number
- 662-684-2
- Nikkaji
- J101.507I
Properties
Computed structural propertiesFilling in
- XLogP
- 2.2
- Topological polar surface area
- 25.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 134
Physicochemical properties
- Density
- 0.925 g/mL · 0.925 g/mL at 25 °C
- refractive index
- 20 · n20/D1.492
- Flash point
- 83 ℃ · 83℃
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- Specific Gravity
- 0.92 · 0.92
- Odor
- 0.1 % · at 0.10 % in dipropylene glycol. green leafy nutty
- Odor Type
- green
- LogP
- 2.32 · 2.320 (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
Applications
Uses5-Isobutyl-2,3-dimethylpyrazine is used as a insect repellent.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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