Basic information
- CAS
18138-05-1- Standard SMILES
CCc1cnc(C)c(CC)n1- InChIKey
MRWLZECVHMHMGI-UHFFFAOYSA-N- Molecular formula
- C9H14N2
- Average molar mass
- 150.22 g/mol
- Monoisotopic mass
- 150.11569846
Overview
3,5-Diethyl-2-methylpyrazine is a member of pyrazines.
Names & identifiers
- Preferred name
- 3,5-Diethyl-2-methylpyrazine
- IUPAC
- 3,5-diethyl-2-methylpyrazine
- English name
- Pyrazine, 3,5-diethyl-2-methyl- (8CI,9CI)
- Molecular formula
- C9H14N2
- Molecular weight
- 150.22
Names & synonyms
3,5-DIETHYL-2-METHYLPYRAZINE2-Methyl-3,5-diethylpyrazinePyrazine, 3,5-diethyl-2-methyl-2,6-Diethyl-3-methylpyrazine2,6-Diethyl-5-methylpyrazineUNII-7JG7NP41LF7JG7NP41LF3,5-DIETHYL-2-METHYL-PYRAZINEFEMA NO. 3916FEMA 3916DTXSID701711303,5-DIETHYL-5-METHYLPYRAZINE
Show more names
2-methyl-3,5-diethylpyrazine USP/EP/BPPyrazine, 3,5-diethyl-2-methyl- (8CI,9CI)diethylmethylpyrazine,3,5-diethyl-2-methylpyrazine
2-METHYL-3,5-DIETHYL-1,4-DIAZINE3,5-DIETHYL-2-METHYLPYRAZINE [FHFI]RefChem:91497DTXCID6093621639-034-1MRWLZECVHMHMGI-UHFFFAOYSA-N18138-05-13,5-diethyl-2-methyl pyrazine
Database identifiers
- CAS
18138-05-1- PubChem CID
- 28906
- DTXSID
DTXSID70171130- ChEBI
CHEBI:193680- UNII
- 7JG7NP41LF
- EC Number
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 25.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 114
Experimental & physicochemical properties
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.944-0.954
Flavoring AgentsEU Flavoring substances
Solubility
slightly
slightly soluble in water; soluble in oils, organic solvents
miscible at room temperature (in ethanol)
Boiling Point
95.00 °C. @ 14.00 mm Hg
95 °C (14 mm Hg)
Refractive Index1.492-1.502
Physical Descriptioncolourless to slightly yellow liquid with a nutty, meaty, vegetable odour
Physicochemical properties
- Boiling point
- 205.7 · 205.7±35.0 °C(Predicted)
- Density
- 0.952 · 0.952±0.06 g/cm3(Predicted)
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 90 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Pyrazine, 3,5-diethyl-2-methyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Uses & manufacturing
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Applications
OccurrenceReported found in potato, chicken, beef, pork (0.1 to 0.5 ppm), cocoa (2.1 ppm), coffee, tea, peanut, coconut (1 ppm), corn, shrimp (0.002 ppm).
Upstream & downstream products
Downstream products
Suppliers15 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]
白银康寓信生物科技有限公司0943-8293106 · [email protected]
陕西缔都医药化工有限公司+86-29-81139210 +86-17392587031 · [email protected]
上海源叶生物科技有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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