基本情報
- CAS
18138-04-0- 標準SMILES
CCc1ncc(C)nc1CC- InChIKey
PSINWXIDJYEXLO-UHFFFAOYSA-N- 分子式
- C9H14N2
- 平均分子量
- 150.22 g/mol
- 単同位体質量
- 150.11569846
概要
2,3-Diethyl-5-methylpyrazine is a member of pyrazines.
名称と識別子
- 優先名称
- 2,3-Diethyl-5-Methylpyrazine
- IUPAC
- 2,3-diethyl-5-methylpyrazine
- 現地名
- 2,3-ジエチル-5-メチルピラジン
- 英語名
- 2,3-Diethyl-5-methylpyrazine
- 分子式
- C9H14N2
- 分子量
- 150.22
名称と別名
2,3-DIETHYL-5-METHYLPYRAZINEPyrazine, 2,3-diethyl-5-methyl-5-Methyl-2,3-diethylpyrazinehazelnut pyrazine2,3-Diethyl-6-methylpyrazineFEMA No. 3336UNII-530763R0APEINECS 242-024-6530763R0APDTXSID6066317PSINWXIDJYEXLO-UHFFFAOYSA-METHYL-5,6-DIETHYLPYRAZINE
名称をさらに表示
2,3-ジエチル-5-メチルピラジン2,3-ジエチル-6-メチルピラジン5-メチル-2,3-ジエチルピラジン2,3-ジエチル-5-メチルピラジン, 98+%FEMA 3336FEMA NUMBER 33362,3-Diethyl-5-MethylDiethyl-5-MethylpyrazLABOTEST-BB LT004530412.3.5.6-four Methylpyrazine2,3-diethyl-5-methyl-pyrazin
2,3-DIETHYL-5-METHYLPYRAZINE [FHFI]RefChem:81630DTXCID4035754242-024-6InChI=1/C9H14N2/c1-4-8-9(5-2)11-7(3)6-10-8/h6H,4-5H2,1-3H3PSINWXIDJYEXLO-UHFFFAOYSA-N18138-04-0MFCD00009635
データベース識別子
- CAS
18138-04-0- PubChem CID
- 28905
物性
構造計算による物性
- XLogP
- 1.9
- 極性表面積
- 25.8 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 2
- 回転可能結合数
- 2
- 重原子数
- 11
- 形式電荷
- 0
- 複雑度
- 114
実験および物理化学的性質
FragrancesFragrance Ingredient (2,3-Diethyl-5-methylpyrazine) -> IFRA transparency List
LogP
1.95
1.95
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.938-0.957
Flavoring AgentsEU Flavoring substances
Solubility
moderately soluble in water; soluble in oils, organic solvents
miscible at room temperature (in ethanol)
6.7 [ug/mL] (The mean of the results at pH 7.4)
Boiling Point203 °C
Refractive Index1.493-1.505
Physical Descriptioncolourless to light yellow liquid with a nutty, roasted, vegetable odour
物理化学的性質
- 沸点
- 95 °C · 95 °C (20 mmHg)
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 6.2% (90 of 1453) of reports.
Warning
H302 (88.6%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1453 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory Information
Chemical: Pyrazine, 2,3-diethyl-5-methyl-
Regulation (EC) No 1831/2003 (amended)
Pyrazine, 2,3-diethyl-5-methyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 4 (88.6%)
安全データ
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- NA 1993 / PGIII
- hs_code
- 29339900
- risk_code
- 36/37/38
- 消防法
- 危-4-2-III
- hazard_code
- Xi
- safety_code
- 26-36/37/39
- hazard_class
- 3
- packing_group
- III
- Hazard Classifications
- Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 Oral
- ストレージクラス
- 10 - Combustible liquids
化学と産業
薬理情報
Cellular LocationsCytoplasm
用途と製造
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, 2,3-diethyl-5-methyl-: ACTIVE
応用分野
用途有機合成原料。
天然物の起源Reported to be present in coffee, filberts, potato products, Parmesan cheese, chicken, beef, pork, cocoa, peanuts, popcorn, sesame seed and corn tortillas.
使用2,3-Diethyl-5-methylpyrazine is a volatile compound found in food such as almonds and swiss cheese.
一般的な説明2,3-Diethyl-5-methylpyrazine has been identified as a potent odorant in coffee sample and has been evaluated by gas chromatography-olfactometry of decreasing headspace samples.
調製方法
製造方法By condensation of 3,4-hexanedione with propylene diamine.
上流・下流製品情報
上流原料
下流製品
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