基本情報
- CAS
53398-90-6- 標準SMILES
CC1CCC2(O1)C(C)(C)CCCC2(C)O- InChIKey
LJOISVFAMDWVFA-UHFFFAOYSA-N- 分子式
- C13H24O2
- 平均分子量
- 212.33 g/mol
- 単同位体質量
- 212.17763
概要
2,6,10,10-Tetramethyl-1-oxaspiro[4.5]decan-6-ol is a member of oxolanes.
名称と識別子
- 優先名称
- 6-Hydroxydihydrotheaspirane
- IUPAC
- 2,6,10,10-tetramethyl-1-oxaspiro[4.5]decan-6-ol
名称と別名
6-Hydroxydihydrotheaspirane2,6,10,10-Tetramethyl-1-oxaspiro[4.5]decan-6-olFEMA No. 3549UNII-OIZ7G4LWV8OIZ7G4LWV82,6,10,10-Tetramethyl-1-oxaspiro(4.5)decan-6-ol6-Hydroxy-2,6,10,10-tetramethyl-1-oxaspiro(4.5)decane1-Oxaspiro(4.5)decan-6-ol, 2,6,10,10-tetramethyl-65620-50-06-HYDROXYDIHYDROTHEASPIRANE [FHFI]DTXSID7010157806-HYDROXY-2,6,10,10-TETRAMETHYL-1-OXASPIRO[4.5]DECANE
名称をさらに表示
RefChem:104774DTXCID1030812(+-)-6-HYDROXYDIHYDROTHEASPIRANE6-HYDROXYDIHYDROTHEASPIRANE, (+-)-53398-90-6SCHEMBL579382FEMA 3549CHEBI:156191
データベース識別子
- CAS
53398-90-6、65620-50-0- PubChem CID
- 65428
- ChEBI
CHEBI:156191- UNII
- OIZ7G4LWV8
- EC Number
- 639-190-0
- Nikkaji
- J1.539.233I
物性
構造計算による物性
- XLogP
- 2.5
- 極性表面積
- 29.5 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 2
- 回転可能結合数
- 0
- 重原子数
- 15
- 形式電荷
- 0
- 複雑度
- 261
実験および物理化学的性質
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density1.006-1.010
Flavoring AgentsEU Flavoring substances
Solubility
Soluble in fats; insoluble in water
Soluble (in ethanol)
Boiling Point211-212 °C
Refractive Index1.481-1.487
Physical DescriptionColourless to yellow liquid; Camphoraceous woody green aroma
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 100% (89 of 89) of all reports.
Not Classified
Aggregated GHS information provided per 89 reports by companies from 1 notifications to the ECHA C&L Inventory.
危険有害性情報
Regulatory Information
Chemical: 1-Oxaspiro[4.5]decan-6-ol, 2,6,10,10-tetramethyl-, [2S-[2.alpha.,5.alpha.(R*)]]-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
1-Oxaspiro4.5decan-6-ol, 2,6,10,10-tetramethyl-, 2S-2.alpha.,5.alpha.(R*)-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesNot Classified
化学と産業
薬理情報
Cellular LocationsMembrane
用途と製造
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
関連反応
25 件
化合物ノート
読み込み中…