基本情報
- CAS
38917-62-3- 標準SMILES
Cc1nc2c(nc1C)CCC2- InChIKey
AIKNQWWUQFXNAZ-UHFFFAOYSA-N- 分子式
- C9H12N2
- 平均分子量
- 148.2 g/mol
- 単同位体質量
- 148.10004839
概要
6,7-Dihydro-2,3-dimethyl-5H-cyclopentapyrazine is a member of pyrazines.
名称と識別子
- 優先名称
- 6,7-Dihydro-2,3-dimethyl-5H-cyclopentapyrazine
- IUPAC
- 2,3-dimethyl-6,7-dihydro-5H-cyclopenta[b]pyrazine
- 英語名
- 6,7-DIHYDRO-2,3-DIMETHYL-5H-CYCLOPENTAPYRAZINE
- 分子量
- 0
名称と別名
6,7-DIHYDRO-2,3-DIMETHYL-5H-CYCLOPENTAPYRAZINE2,3-dimethyl-6,7-dihydro-5H-cyclopentapyrazine2,3-dimethyl-6,7-dihydro-5H-cyclopenta[b]pyrazineFEMA No. 391738917-62-37V95I5A59RUNII-7V95I5A59RFEMA 3917DTXSID8010153692,3-Dimethyl-6,7-dihydro-5H-cyclopenta(b)pyrazine2,3-dimethyl-5H,6H,7H-cyclopenta[b]pyrazine6,7-Dihydro-2,3-dimethyl-5H-cyclopentapyrazine [FIFH]
名称をさらに表示
6,7-DIHYDRO-2,3-DIMETHYL-5H-CYCLOPENTAPYRAZINE [FHFI]2,3-dimethyl-5H,6H,7H-cyclopenta(b)pyrazine6,7-Dihydro-2,3-dimethyl-5H-cyclopentapyrazine (FIFH)RefChem:103812DTXCID10114682AIKNQWWUQFXNAZ-UHFFFAOYSA-N38917-63-4SCHEMBL18338949
データベース識別子
- CAS
38917-62-3、38917-63-4- PubChem CID
- 6428802
- DTXSID
DTXSID801015369- ChEBI
CHEBI:192291- UNII
- 7V95I5A59R
- EC Number
- 639-110-4
物性
構造計算による物性
- XLogP
- 1.3
- 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
- 0
- 重原子数
- 11
- 形式電荷
- 0
- 複雑度
- 130
実験および物理化学的性質
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Flavoring AgentsEU Flavoring substances
Solubility
slightly soluble in water; soluble in oils, organic solvents
very soluble (in ethanol)
Boiling Point66 °C (2 mm Hg)
Melting Point25 - 27 °C
Physical Description
Solid
low melting solid with a roasted nut odour
物理化学的性質
- FEMA
- 3917 · 3917 | 6,7-DIHYDRO-2,3-DIMETHYL-5H-CYCLOPENTAPYRAZINE
- JECFA Number
- 782 · 782
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 89 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory Information
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
5H-Cyclopentapyrazine, 6,7-dihydro-2,7-dimethyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
化学と産業
薬理情報
Cellular LocationsCytoplasm
用途と製造
Use Classification
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
応用分野
天然物の起源Reported found in beef, cocoa, coffee and hazelnut.
サプライヤー3 社
BOC Sciences[email protected]
兰州康寓信生物科技有限公司0943-8293106 · [email protected]
武汉拉那白医药化工有限公司027-81819291; 15307151931 · [email protected]
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