基本情報
- CAS
13360-65-1- 標準SMILES
CCc1nc(C)cnc1C- InChIKey
WHMWOHBXYIZFPF-UHFFFAOYSA-N- 分子式
- C8H12N2
- 平均分子量
- 136.19 g/mol
- 単同位体質量
- 136.10004839
概要
3-ethyl-2,5-dimethylpyrazine is a member of pyrazines.
名称と識別子
- 優先名称
- 3-Ethyl-2,5-dimethylpyrazine
- IUPAC
- 3-ethyl-2,5-dimethylpyrazine
- 現地名
- 2-エチル-3,6-ジメチルピラジン
- 英語名
- 3-Ethyl-2,5-diMethylpyrazine
- 分子式
- C8H12N2
- 分子量
- 136.19
名称と別名
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
名称をさらに表示
2,5-ジメチル-3-エチルピラジン3-エチル-2,5-ジメチルピラジン3,6-ジメチル-2-エチルピラジン2-エチル-3,6-ジメチルピラジン2,5-ジメチル-6-エチルピラジン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
データベース識別子
- CAS
13360-65-1、27043-05-6- PubChem CID
- 25916
物性
構造計算による物性
- XLogP
- 1.5
- 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
- 1
- 重原子数
- 10
- 形式電荷
- 0
- 複雑度
- 103
実験および物理化学的性質
FragrancesFragrance Ingredient (3-Ethyl-2,5-dimethylpyrazine) -> IFRA transparency List
Flavoring AgentsEU Flavoring substances
物理化学的性質
- 沸点
- 180 · 180-181 °C(lit.)
- 比重(密度)
- 0.965 g/mL · 0.965 g/mL at 25 °C(lit.)
- FEMA
- 3149 · 3149 | 2-ETHYL-3,(5 OR 6)-DIMETHYLPYRAZINE
- 屈折率
- 20 · n20/D 1.5015(lit.)
- 闪点
- 157 °F · 157 °F
- 貯蔵温度
- Sealed in dry,Room Temperature
- 溶解性
- クロロホルム（微量）、酢酸エチル（微量）
- 酸解離定数(Pka)
- 2.61 · 2.61±0.10(Predicted)
- 外見
- 油
- 色
- 無色
- 臭い (Odor)
- ロースト臭、ナッツを連想させる
- においのタイプ
- ナッティ
- JECFA Number
- 775 · 775
- 化粧品成分の機能
- 香料
- LogP
- 2.07 · 2.07
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
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.
危険有害性情報
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Commission Regulation (EC) No 1565/2000 (Repealed by Com.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%)
安全データ
- wgk
- 3
- tsca
- TSCA listed
- risk_code
- 22-36/37/38
- hazard_code
- Xn
- safety_code
- 26
化学と産業
薬理情報
Cellular LocationsCytoplasm
用途と製造
Use ClassificationFragrance Ingredients
General Manufacturing Information
Pyrazine, 3-ethyl-2,5-dimethyl-: ACTIVE
Pyrazine, 2-ethyl-3,?-dimethyl-: ACTIVE
応用分野
使用2-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.
上流・下流製品情報
下流製品
サプライヤー79 社
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
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