Basic information
- CAS
29460-90-0- Standard SMILES
CC(C)c1cnccn1- InChIKey
GIMBKDZNMKTZMG-UHFFFAOYSA-N- Molecular formula
- C7H10N2
- Average molar mass
- 122.17 g/mol
- Monoisotopic mass
- 122.08439833
Overview
Isopropylpyrazine is a member of pyrazines.
Names & identifiers
- Preferred name
- Isopropylpyrazine
- IUPAC
- 2-propan-2-ylpyrazine
- English name
- 2-Isopropylpyrazine
- Molecular formula
- C7H10N2
- Molecular weight
- 122.17
Names & synonyms
2-IsopropylpyrazineIsopropylpyrazinePyrazine, (1-methylethyl)-2-Isopropyl pyrazinePyrazine, 2-(1-methylethyl)-2-(propan-2-yl)pyrazineUNII-14XE115G58EINECS 249-646-714XE115G58PYRAZINE, ISOPROPYL-DTXSID5067471FEMA NO. 3940
Show more names
FEMA 3940FEMA NUMBER 3940(1-methylethyl)-pyrazin2-ISOPROPYLPYRAZINE USP/EP/BP
2-ISOPROPYLPYRAZINE [FHFI]RefChem:149864DTXCID4038003249-646-7GIMBKDZNMKTZMG-UHFFFAOYSA-N29460-90-02-propan-2-ylpyrazine(1-Methylethyl)pyrazine
Database identifiers
- CAS
29460-90-0- PubChem CID
- 34590
- DTXSID
DTXSID5067471- ChEBI
CHEBI:191898- UNII
- 14XE115G58
- EC Number
- 249-646-7
- Nikkaji
- J250.852D
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 25.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 81
Experimental & physicochemical properties
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.967-0.972
Flavoring AgentsEU Flavoring substances
Solubility
soluble in water, organic solvents, oils
miscible at room temperature (in ethanol)
Boiling Point
70.00 °C. @ 20.00 mm Hg
70 °C (20 mm Hg)
Refractive Index1.486-1.496
Physical Descriptioncolourless to light yellow liquid with a minty, green, nutty, honey odour
Physicochemical properties
- Boiling point
- 169.8 · 169.8±20.0 °C(Predicted)
- Density
- 0.969 · 0.969±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.
Hazard information
Regulatory Information
Chemical: Pyrazine, (1-methylethyl)-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Pyrazine, (1-methylethyl)-: 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
Safety data
- tsca
- TSCA listed
- risk_code
- 25
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- T
- safety_code
- 45
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Uses & manufacturing
Use Classification
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing InformationPyrazine, 2-(1-methylethyl)-: INACTIVE
Applications
Uses2-isopropyl pyrazine is used as a flavoring agents.
Upstream & downstream products
Upstream raw materials
Suppliers23 total
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
北京东华力拓科技发展有限公司010-88425576 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
北京大田丰拓化学技术有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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