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3,5-DIMETHYL-2-ETHYLPYRAZINE

3,5-DIMETHYL-2-ETHYLPYRAZINE structure

CAS No:
13925-07-0
Formula:
C8H12N2
Chemical Name:
3,5-DIMETHYL-2-ETHYLPYRAZINE
Synonyms:
2-Ethyl-3,5-dimethylpyrazine;3,5-Dimethyl-2-ethylpyrazine;2-Ethyl-3,5(6)-dimethylpyrazine, 99%, mixture of isomers;2,6-dimethyl-3-ethyl-pyrazin;2-ethyl-3,5-dimethyl-pyrazin;3,5-dimethyl-2-ethyl-pyrazin;3-Ethyl-2,6-dimethylpyrazine;fema3150
Categories:
Cosmetic Ingredient > Perfuming

Description

Yellow Oil

colourless to slightly yellow liquid with a toasted nut, chocolaty, sweet woody odour|colourless to slightly yellow liquid

ChEBI: 2-Ethyl-3,5-dimethylpyrazine is a member of pyrazines.

3,5-DIMETHYL-2-ETHYLPYRAZINE Basic Attributes

Molecular Weight：

136.19

Exact Mass：

136.19

EC Number：

237-694-1

UNII：

R182EY5L8C

TSCA：

TSCA listed

DSSTox ID：

DTXSID7065679

Color/Form：

Yellow

HScode：

2933990090

Characteristics

PSA：

25.8

XLogP3：

1.5

Appearance：

Yellow Oil

Density：

0.96

Melting Point：

64-66 °C

Boiling Point：

182°C

Flash Point：

182°C

Refractive Index：

1.5015

Water Solubility：

Not miscible or difficult to mix in water. Soluble in alcohol, chloroform and dichloromethane.

Vapor Pressure：

0.814mmHg at 25°C

Odor：

at 0.10 % in dipropylene glycol. burnt almonds roasted nuts coffee

PKA：

2.73±0.10(Predicted)

Henrys Law Constant：

2.9×100mol/(m3Pa) at 25℃, Wieland et al. (2015)

Critical Temperature & Pressure：

Sealed in dry,Room Temperature

Safety Information

wgk germany：

WGK 3

hazard class code：

22-36/37/38

safety instructions：

Precautionary statement(s)：

P264, P270, P301+P312, P330, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 1597 companies from 4 notifications to the ECHA C&L Inventory.|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 298 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|H226 (73.83%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P280, P301+P312, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501|Aggregated GHS information provided by 256 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.|H302: Harmful if swallowed [Warning Acute toxicity, oral]

Drug Information

MeSH Entry Terms：

2-ethyl-3,5-dimethylpyrazine

3,5-DIMETHYL-2-ETHYLPYRAZINE Use and Manufacturing

Methods of Manufacturing

It is derived from 2, 6-dimethylpyrazine with ethyl lithium for alkylation reaction.

Uses

GB/T14156-93 is listed as permitted food spices.

3,5-Dimethyl-2-ethylpyrazine is an odorant of coffee brews.

Manufacturing Info：

Pyrazine, 2-ethyl-3,5-dimethyl-: ACTIVE

Use Classification：

Food additives -> Flavoring Agents

Food Additive Classes：

Flavoring Agents|Flavouring Agent -> FLAVOURING_AGENT;

Computed Properties

Molecular Weight:136.19
XLogP3:1.5
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:136.100048391
Monoisotopic Mass:136.100048391
Topological Polar Surface Area:25.8
Heavy Atom Count:10
Complexity:103
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Ethyl bromide

Ethyl ketone

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CAS No.: 13925-07-0

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2-Ethyl-3,5-dimethylpyrazine,mixtureofisomers

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Guide of 3,5-DIMETHYL-2-ETHYLPYRAZINE

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Material
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