Basic information
- CAS
13360-65-1- Standard SMILES
CCc1nc(C)cnc1C- InChIKey
WHMWOHBXYIZFPF-UHFFFAOYSA-N- Molecular formula
- C8H12N2
- Average molar mass
- 136.19 g/mol
- Monoisotopic mass
- 136.10004839
Overview
3-ethyl-2,5-dimethylpyrazine is a member of pyrazines.
Names & identifiers
- Preferred name
- 3-Ethyl-2,5-dimethylpyrazine
- IUPAC
- 3-ethyl-2,5-dimethylpyrazine
- English name
- 3-Ethyl-2,5-diMethylpyrazine
- Molecular formula
- C8H12N2
- Molecular weight
- 136.19
Names & synonyms
3-Ethyl-2,5-dimethylpyrazine13360-65-12-Ethyl-3,6-dimethylpyrazinePyrazine, 3-ethyl-2,5-dimethyl-G2FB13VLOG2E3,6DMPFEMA NO. 3149, 3,6-DIMETHYL-RefChem:471792236-417-13,6-cocoa pyrazine2,5-DIMETHYL-3-ETHYLPYRAZINE3,6-Dimethyl-2-ethylpyrazine
Show more names
FEMA 31492,6-DIMETHYL-3-ETHYLPYRAZINE3-Ethyl-2,5-Methylpyrazine2-ETHYL-3,5(OR 6)-DIMETHYLPYRAZINEFEMA NUMBER 3149
Pyrazine, 2-ethyl-3,6-dimethylPyrazine, 2-ethyl-3,?-dimethyl-2-Ethyl-3,5/6-dimethyl-PyrazineMFCD00053098UNII-G2FB13VLOG3-Ethyl-2,5-dimethyl-pyrazine3-Ethyl-2,5-dimethylpyrazine; 2,5-Dimethyl-3-ethylpyrazine; 3,6-Dimethyl-2-ethylpyrazine;EINECS 236-417-1
Database identifiers
- CAS
13360-65-1、27043-05-6- PubChem CID
- 25916
- DTXSID
DTXSID1065423- ChEMBL
CHEMBL95123
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 25.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 103
Experimental & physicochemical properties
FragrancesFragrance Ingredient (3-Ethyl-2,5-dimethylpyrazine) -> IFRA transparency List
Flavoring AgentsEU Flavoring substances
Physicochemical properties
- Boiling point
- 180 · 180-181 °C(lit.)
- Density
- 0.965 g/mL · 0.965 g/mL at 25 °C(lit.)
- FEMA
- 3149 · 3149 | 2-ETHYL-3,(5 OR 6)-DIMETHYLPYRAZINE
- refractive index
- 20 · n20/D 1.5015(lit.)
- FLAVIS Number
- 14.111 · 14.111 | 3-Ethyl-2,5-dimethylpyrazine
- Flash point
- 157 °F · 157 °F
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- Chloroform (Slightly), Ethyl Acetate (Slightly)
- pka
- 2.61 · 2.61±0.10(Predicted)
- form
- Oil
- color
- Colourless
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 1017 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: Pyrazine, 3-ethyl-2,5-dimethyl-
Chemical: Pyrazine, 2-ethyl-3,?-dimethyl-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Pyrazine, 3-ethyl-2,5-dimethyl-: Does not have an individual approval but may be used under an appropriate group standard
Pyrazine, 2-ethyl-3,?-dimethyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Other Safety InformationIMAP assessments - Pyrazine, 2-ethyl-3,?-dimethyl-: Environment tier I assessment
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- wgk
- 3
- tsca
- TSCA listed
- risk_code
- 22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 26
- Hazard statements
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Uses & manufacturing
Use ClassificationFragrance Ingredients
General Manufacturing Information
Pyrazine, 3-ethyl-2,5-dimethyl-: ACTIVE
Pyrazine, 2-ethyl-3,?-dimethyl-: ACTIVE
Applications
Uses2-Ethyl-3,6-dimethylpyrazine is a flavour-active and non-volatile compound identified in thermally treated yeast extracts. It is also useful in the synthesis of new flavour additive species of pyrazines.
Upstream & downstream products
Downstream products
Suppliers79 total
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Hebei Zhuanglai Chemical Trading Co Ltd+86-16264648883 · [email protected]
成都超九八生物科技有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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