Basic information
- CAS
15987-00-5- Standard SMILES
CCCCc1nccnc1C- InChIKey
IRSIKJPEFMMRHD-UHFFFAOYSA-N- Molecular formula
- C9H14N2
- Average molar mass
- 150.22 g/mol
- Monoisotopic mass
- 150.11569846
Overview
2-Methyl-3-butylpyrazine has been reported in Perilla frutescens with data available.
Names & identifiers
- Preferred name
- 2-Butyl-3-methylpyrazine
- IUPAC
- 2-butyl-3-methylpyrazine
- English name
- 2-N-BUTYL-3-METHYLPYRAZINE
- Molecular formula
- C9H14N2
- Molecular weight
- 150.22
Names & synonyms
2-Butyl-3-methylpyrazinePyrazine, 2-butyl-3-methyl-2-n-Butyl-3-methylpyrazineSLG6RBP4ZTEINECS 240-126-5UNII-SLG6RBP4ZTDTXSID0065987IRSIKJPEFMMRHD-UHFFFAOYSA-2-METHYL-3-BUTYL-PYRAZINERefChem:86030DTXCID2035146InChI=1/C9H14N2/c1-3-4-5-9-8(2)10-6-7-11-9/h6-7H,3-5H2,1-2H3
Show more names
2-butyl-3-methyl-pyrazinBUTYL-3-METHYLPYRAZINE, 2-2-Butyl-3-methylpyrazine >BUTYL-3-METHYLPYRAZINE,2-(SG)2-N-BUTYL-3-METHYLPYRAZINE 97+%
IRSIKJPEFMMRHD-UHFFFAOYSA-N15987-00-5MFCD000380312-METHYL-3-BUTYLPYRAZINEButylmethylpyrazine2-Methyl-3- butylpyrazineSCHEMBL293871SCHEMBL293872
Database identifiers
- CAS
15987-00-5- PubChem CID
- 85228
- DTXSID
DTXSID0065987- UNII
- SLG6RBP4ZT
- EC Number
- 240-126-5
- Nikkaji
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 25.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 104
Experimental & physicochemical properties
LogP2.1
Flavoring AgentsEU Flavoring substances
Physicochemical properties
- Boiling point
- 84 °C · 84 °C / 9mmHg
- Density
- 0.95 · 0.95
- FLAVIS Number
- 14.091 · 14.091 | 2-Butyl-3-methylpyrazine
- refractive index
- 1.492 to · 1.4920 to 1.4960
- Flash point
- 83 ℃ · 83℃
- storage temp.
- 2 · 2-8°C
- form
- clear liquid
- pka
- 1.93 · 1.93±0.10(Predicted)
- color
- Colorless to Brown
- Odor
- 0.1 % · at 0.10 % in propylene glycol. anise licorice
- Odor Type
- licorice
- LogP
- 2.1 · 2.100
- FDA UNII
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
This chemical does not meet GHS hazard criteria for 100% (91 of 91) of all reports.
Not Classified
Aggregated GHS information provided per 91 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: Pyrazine, 2-butyl-3-methyl-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Pyrazine, 2-butyl-3-methyl-: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
- hs_code
- 2933998090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H227
- Precautionary statements
- P501-P210-P280-P370+P378-P403+P235
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPyrazine, 2-butyl-3-methyl-: INACTIVE
Applications
Uses2-Butyl-3-methylpyrazine is used in the synthesis of aqueous formulations rich in pyrazines. 2-Butyl-3-methylpyrazine is an aroma component of roasted cocoa beans.
Suppliers53 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
淄博丽硕化工贸易有限公司13853320569 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
Aladdin Scientific[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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