Basic information
- CAS
13360-64-0- Standard SMILES
CCc1cnc(C)cn1- InChIKey
OXCKCFJIKRGXMM-UHFFFAOYSA-N- Molecular formula
- C7H10N2
- Average molar mass
- 122.17 g/mol
- Monoisotopic mass
- 122.08439833
Overview
2-ethyl-5-methylpyrazine is a member of the class of pyrazines that is pyrazine with an ethyl group at position 2 and a methyl group at position 5 or vice versa. Found in tea, soybean paste, chocolate and sesame seed oil. It has a role as a flavouring agent and a Maillard reaction product. It is a volatile organic compound and a member of pyrazines.
Names & identifiers
- Preferred name
- 2-Ethyl-5-methylpyrazine
- IUPAC
- 2-ethyl-5-methylpyrazine
- English name
- 2-Ethyl-5-methylpyrazine
- Molecular formula
- C7H10N2
- Molecular weight
- 122.17
Names & synonyms
2-ETHYL-5-METHYLPYRAZINE13360-64-0Pyrazine, 2-ethyl-5-methyl-2-Methyl-5-ethylpyrazineFEMA No. 31542-Ethyl-5-methyl pyrazine2,5-MethylethylpyrazineBRN 0956719W41R8X574D2-Ethyl-5-methyl-pyrazineEINECS 236-416-6AI3-34443
Show more names
2-Methyl-5-ethyl pyraine2-ethyl-5-Methyl pyraine2-Methyl-5-ethylpirazine5-ETHYL-2-METHYLPYRAZINED5-2-Ethyl-5-methylpyrazine4-diphenylphosphinooxyphenol2-Ethyl-5-methylpyrazine USP/EP/BP
FEMA 3154ETHYL-5-METHYLPYRAZINE, 2-DTXSID60654225-METHYL-2-ETHYLPYRAZINECHEBI:1415422-ETHYL-5-METHYLPYRAZINE [FHFI]RefChem:471855DTXCID9034157
Database identifiers
- CAS
13360-64-0、36731-41-6- PubChem CID
- 25915
- DTXSID
DTXSID6065422- ChEMBL
CHEMBL94558- ChEBI
CHEBI:141542- UNII
- W41R8X574D
- EC Number
- 236-416-6
- Nikkaji
- J113.401I
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
- 83
Experimental & physicochemical properties
FragrancesFragrance Ingredient (2-Ethyl-5-methylpyrazine) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.960-0.970
Flavoring AgentsEU Flavoring substances
Solubility
soluble in water, organic solvents
miscible at room temperature (in ethanol)
Boiling Point79 °C (66 mm Hg)
Refractive Index1.491-1.501
Physical Descriptioncolourless to slightly yellow liquid with a nutty, roasted, grassy odour
Physicochemical properties
- Boiling point
- 170.8 · 170.8±35.0 °C(Predicted)
- Density
- 0.977 · 0.977±0.06 g/cm3(Predicted)
- FEMA
- 3154 · 3154 | 2-ETHYL-5-METHYLPYRAZINE
- FLAVIS Number
- 14.017 · 14.017 | 2-Ethyl-5-methylpyrazine
- Flash point
- 58 ° · 58°
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 1.94 · 1.94±0.10(Predicted)
- Odor
- 0.1 % · at 0.10 % in propylene glycol. coffee bean nutty grassy roasted
- Odor Type
- coffee
- JECFA Number
- 770 · 770
- InChI
- InChI=1S/C7H10N2/c1-3-7-5-8-6(2)4-9-7/h4-5H,3H2,1-2H3
- InChIKey
- OXCKCFJIKRGXMM-UHFFFAOYSA-N
- SMILES
- C1(CC)=NC=C(C)N=C1
- LogP
- 1.17 · 1.17
- Substances Added to Food (formerly EAFUS)
- 2 · 2-ETHYL-5-METHYLPYRAZINE
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 41 R8X574D · W41R8X574D
- NIST Chemistry Reference
- 2 · Pyrazine, 2-ethyl-5-methyl-(13360-64-0)
- EPA Substance Registry System
- 2 · Pyrazine, 2-ethyl-5-methyl- (13360-64-0)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P362-P403+P233-P405-P501
- RIDADR
- 1993 · UN1993
- TSCA
- TSCA listed
- HazardClass
- 3 · 3
- Limited Quantities
- 5 L · 5.0 L (1.3 gallons) (liquid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
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
H226 (97.5%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P317, P303+P361+P353, P330, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1592 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Pyrazine, 2-ethyl-5-methyl-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Pyrazine, 2-ethyl-5-methyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesFlam. Liq. 3 (97.5%)
Safety data
- tsca
- TSCA listed
- ridadr
- UN1993
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- 3
- Hazard statements
- H315-H319-H335
- Limited Quantities
- 5.0 L (1.3 gallons) (liquid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P362-P403+P233-P405-P501
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Uses & manufacturing
Use Classification
Fragrance Ingredients
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing InformationPyrazine, 2-ethyl-5-methyl-: ACTIVE
Applications
OccurrenceReported found as a constituent in coffee aroma, in roasted barley, dairy products, peanuts, pecans, filberts, popcorn, potato and soy products, smoked fish, wheat and rye bread, asparagus, bell pepper, roasted coconut, cooked beef, beer, whiskey, cocoa, coffee, tea and cooked shrimp.
Preparation methods
PreparationBy alkylation of dimethyl-2,5-pyrazine.
Upstream & downstream products
Downstream products
Suppliers100 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
济南远泽生物科技有限公司15063396929; 15063396929 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
河北创海生物科技有限公司+86-86-13131129325 · [email protected]
湖北云镁科技有限公司027-59206672 18327059871 · [email protected]
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
上海弘顺生物科技有限公司15901914505 · [email protected]
广东百科试剂有限公司13532366769 13686183698 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
上海晶抗生物工程有限公司021-54721350 13524668266 · [email protected]
山东鑫赢舜新材料有限公司0531-13220555910 15168808500 · [email protected]
湖北兴琰新材料科技有限公司13129948835 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
山东昌元化学有限公司0531-15554118484 15554118484 · [email protected]
广东方信生物科技有限公司0751-2838688 13376594225 · [email protected]
吉良化学21-62165282 · [email protected]
上海景颜化工科技有限公司13817811078 · [email protected]
上海泰坦科技股份有限公司4006009262 13023226327 · [email protected]
Nanjing jinheyou Trading Co., Ltd.15705188088 · [email protected]
武汉市皇臻生物化工有限公司13795480948 · [email protected]
Xiamen AmoyChem Co., Ltd+86-86-5926051114 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
青岛保税区鲁联国际贸易有限公司0532-83893697 18561902820 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
越林试剂021-62960152 · [email protected]
广东顺奥化学试剂有限公司19928586137 · [email protected]
武汉普洛夫生物科技有限公司17612776928 · [email protected]
成都零六生物科技有限公司400-1166-196 13458535857 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
杭州杰恒化工有限公司0571-87396432 · [email protected]
上海寰川实业有限公司021-61478794 · [email protected]
南京恰风和医药科技有限公司025-57018978 18251899859 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
上海孚一生物科技有限公司+86 (21) 61124340
上海兴鲁化工科技有限公司02120970332 · [email protected]
Henan Alfa Chemical Co., Ltd+8618339805032 · [email protected]
上海谱振生物科技有限公司4001650900 13817534909 · [email protected]
厦门志信化学有限公司+86-5922680277 +86-13806087780 · [email protected]
武汉沃轩科技有限公司13322067656 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
四川普西奥标物科技有限公司13540909846 13882008651 · [email protected]
陕西缔都医药化工有限公司+86-29-81139210 +86-17392587031 · [email protected]
武汉市承天精细化工有限公司18164098996 · [email protected]
成都标样生物科技有限公司028-81700200 13308200041 · [email protected]
Additional notes
DefinitionChEBI: 2-ethyl-5-methylpyrazine is a member of the class of pyrazines that is pyrazine with an ethyl group at position 2 and a methyl group at position 5 or vice versa. Found in tea, soybean paste, chocolate and sesame seed oil. It has a role as a flavouring agent and a Maillard reaction product. It is a member of pyrazines and a volatile organic compound.
Related reactions
0 records
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Compound notes
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