Basic information
- CAS
25680-58-4- Standard SMILES
CCc1nccnc1OC- InChIKey
DPCILIMHENXHQX-UHFFFAOYSA-N- Molecular formula
- C7H10N2O
- Average molar mass
- 138.17 g/mol
- Monoisotopic mass
- 138.07931295
Overview
3-Ethyl-2-methoxypyrazine is an aromatic ether and a member of pyrazines.
Names & identifiers
- Preferred name
- 2-Ethyl-3-methoxypyrazine
- IUPAC
- 2-ethyl-3-methoxypyrazine
- English name
- 2-Ethyl-3-methoxypyrazine
- Molecular formula
- C7H10N2O
- Molecular weight
- 138.17
Names & synonyms
2-ETHYL-3-METHOXYPYRAZINE2-Methoxy-3-ethylpyrazinePyrazine, 2-ethyl-3-methoxy-3-ethyl-2-methoxypyrazinePyrazine, 3-ethyl-2-methoxyUNII-ZBM5LD0WE9ZBM5LD0WE9EINECS 247-184-0DTXSID1067124FEMA NO. 3280, 2-ETHYL-3-METHOXY-RefChem:86889DTXCID0037360
Show more names
FEMA 5144FEMA NUMBER 32802-Ethyl-3-Methoxypyr2-ethyl-3-methoxy-pyrazin3-Methoxy-2-ethylpyrazine
247-184-0DPCILIMHENXHQX-UHFFFAOYSA-NInChI=1/C7H10N2O/c1-3-6-7(10-2)9-5-4-8-6/h4-5H,3H2,1-2H25680-58-42-Ethyl-3-methoxy-pyrazineMFCD00006129CHEMBL328465orb3023751
Database identifiers
- CAS
25680-58-4- PubChem CID
- 33135
- DTXSID
DTXSID1067124- ChEMBL
CHEMBL328465- ChEBI
CHEBI:193648- UNII
- ZBM5LD0WE9
- EC Number
- 247-184-0
- Nikkaji
- J208.493G
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 35 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 97.6
Experimental & physicochemical properties
FragrancesFragrance Ingredient (Pyrazine, 2-ethyl-3-methoxy-) -> IFRA transparency List
LogP
1.80
1.8
Flavoring AgentsEU Flavoring substances
Boiling Point90.00 °C. @ 40.00 mm Hg
Physicochemical properties
- Boiling point
- 90 °C/40 · 90 °C/40 mmHg (lit.)
- Density
- 1.049 g/mL · 1.049 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.502(lit.)
- FEMA
- 3280 · 3280 | 2-ETHYL(OR METHYL)-(3,5 AND 6)-METHOXYPYRAZINE
- FLAVIS Number
- 14.112 · 14.112 | 2-Ethyl-3-methoxypyrazine
- Flash point
- 156 °F · 156 °F
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 0.92 · 0.92±0.10(Predicted)
- Specific Gravity
- 1.029 · 1.029
- Odor
- 0.1 % · at 0.10 % in dipropylene glycol. raw potato earthy bell pepper nutty
- Odor Type
- earthy
- biological source
- synthetic
- JECFA Number
- 789 · 789
- Henry's Law Constant
- 6.7 · 6.7×10-1 mol/(m3Pa) at 25℃, Buttery et al. (1971)
- Major Application
- flavors and fragrances
- InChI
- 1S/C7H10N2O/c1-3-6-7(10-2)9-5-4-8-6/h4-5H,3H2,1-2H3
- InChIKey
- DPCILIMHENXHQX-UHFFFAOYSA-N
- SMILES
- CCc1nccnc1OC
- LogP
- 1.8 · 1.80
- CAS DataBase Reference
- 25680 · 25680-58-4(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 5 LD0WE9 · ZBM5LD0WE9
- NIST Chemistry Reference
- 2 · 2-Ethyl-3-methoxypyrazine(25680-58-4)
- EPA Substance Registry System
- 2 · Pyrazine, 2-ethyl-3-methoxy- (25680-58-4)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 302 · H302-H315-H318-H335
- Precautionary statements
- 261 · P261-P280-P305+P351+P338
- target organs
- Respiratory system
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- Xn,Xi
- Risk Statements
- 22 · 22-37/38-41-36/37/38
- Safety Statements
- 26 · 26-39-36/37/39
- RIDADR
- 1993 · NA 1993 / PGIII
- WGK Germany
- 3 · 3
- TSCA
- TSCA listed
- HazardClass
- IRRITANT
- HS Code
- 29339900 · 29339900
- Storage Class
- 10 · 10 - Combustible liquids
- Hazard Classifications
- 4 OralEye · Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3
- Excepted Quantities
- Non-Hazardous
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 (99.9%): 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 1418 reports by companies from 6 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: Pyrazine, 2-ethyl-3-methoxy-
Regulation (EC) No 1831/2003 (amended)
Pyrazine, 2-ethyl-3-methoxy-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 4 (99.9%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- NA 1993 / PGIII
- hs_code
- 29339900
- risk_code
- 22-37/38-41-36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- Xn,Xi
- safety_code
- 26-39-36/37/39
- hazard_class
- IRRITANT
- Storage Class
- 10 - Combustible liquids
- target organs
- Respiratory system
- Hazard statements
- H302-H315-H318-H335
- Excepted Quantities
- Non-Hazardous
- Hazard Classifications
- Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P280-P305+P351+P338
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Uses & manufacturing
Use ClassificationFragrance Ingredients
General Manufacturing InformationPyrazine, 2-ethyl-3-methoxy-: ACTIVE
Applications
Uses2-Ethyl-3-methoxypyrazine has been employed as internal standard for determination of taste and odour causing compounds using the granular adsorbent, Ambersorb 572, by gas chromatography-high resolution mass spectrometry.
Suppliers82 total
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
Hebei Zhuanglai Chemical Trading Co Ltd+86-16264648883 · [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]
上海腾准生物科技有限公司19821570922 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
T&W GROUP021-61551611 13296011611 · [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]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13318593351 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
JINING XINHE CHEMICAL CO., LTD+8615318402391 · [email protected]
南通合润生物科技有限公司18362409333 · [email protected]
上海景颜化工科技有限公司13817811078 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
青岛保税区鲁联国际贸易有限公司0532-83893697 18561902820 · [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]
Clearsynth Labs Limited+91-22-26355700 · [email protected]
安徽科迪达化工有限公司0554-2106669 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
成都零六生物科技有限公司400-1166-196 13458535857 · [email protected]
南京多隆生物科技有限公司18905173768 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
上海兴鲁化工科技有限公司02120970332 · [email protected]
湖北巨胜科技有限公司027-59599241 18871490274 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
天津荣燊化工有限公司18317763565; 18317763565 · [email protected]
常州安奈凯医药科技有限公司+86-0519-8359-8696 · [email protected]
嘉兴市德亿化工有限公司0573-85866609 13325730825 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
武汉凯威斯科技有限公司027-67849912 · [email protected]
陕西缔都医药化工有限公司+86-29-81139210 +86-17392587031 · [email protected]
南通市苏北化工原料有限公司0513-85290972 18762756250 · [email protected]
上海傲广生物科技有限公司1735-4997695 17715859063 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
武汉市承天精细化工有限公司18164098996 · [email protected]
武汉克米克生物医药技术有限公司027-13163388153 13163388153 · [email protected]
广东翁江化学试剂有限公司0751-2886750 13927877953 · [email protected]
广州市金华大化学试剂有限公司020-84383047 · [email protected]
山东小野化学股份有限公司0539-6362799 20）
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
Additional notes
DefinitionChEBI: 3-Ethyl-2-methoxypyrazine is a member of pyrazines and an aromatic ether.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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