基本情報
- 標準SMILES
OC[C@H]1O[C@@H](OC/C=C/c2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O- InChIKey
KHPCPRHQVVSZAH-GUNCLKARSA-N- 分子式
- C15H20O6
- 平均分子量
- 296.31 g/mol
- 単同位体質量
- 296.12598836
概要
rosin X has been reported in Rhodiola crenulata, Rhodiola sachalinensis, and other organisms with data available.
名称と識別子
- 優先名称
- (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(E)-3-phenylprop-2-enoxy]oxane-3,4,5-triol
- IUPAC
- (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(E)-3-phenylprop-2-enoxy]oxane-3,4,5-triol
- 現地名
- [(E)-3-フェニル-2-プロペニル]β-D-グルコピラノシド
- 英語名
- Rosin
- 分子式
- C15H20O6
- 分子量
- 296.32
名称と別名
名称をさらに表示
データベース識別子
- CAS
85026-55-7- PubChem CID
- 5280656
- DTXSID
DTXSID60904535- ChEMBL
CHEMBL4175856- UNII
- SVS3GU8AY8
- EC Number
- 875-664-5
- Nikkaji
- J2.573.236G、J430.836K
物性
構造計算による物性
- XLogP
- -0.1
- 極性表面積
- 99.4 Ų
- 水素結合供与体数
- 4
- 水素結合受容体数
- 6
- 回転可能結合数
- 5
- 重原子数
- 21
- 形式電荷
- 0
- 複雑度
- 328
物理化学的性質
- 融点
- 75 · 75-81 °C
- 沸点
- 542.4 · 542.4±50.0 °C(Predicted)
- 比重(密度)
- 1.36 · 1.36
- 闪点
- 180 °C · 180 °C
- 貯蔵温度
- 2 · 2-8°C
- 溶解性
- 0.1 g/mL、透明、強い黄色 · クロロホルム: 0.1 g/mL、透明、強い黄色
- 酸解離定数(Pka)
- 12.91 · 12.91±0.70(Predicted)
- 外見
- powder
- 色
- White-yellowish
- Dielectric constant
- 2.5 · 2.5(Ambient)
- 主な用途
- メタボロミクスビタミン、栄養補助食品、天然製品
- InChI
- InChI=1/C15H20O6/c16-9-11-12(17)13(18)14(19)15(21-11)20-8-4-7-10-5-2-1-3-6-10/h1-7,11-19H,8-9H2/b7-4+/t11-,12-,13+,14-,15-/s3
- InChIKey
- KHPCPRHQVVSZAH-RHAOKAAZNA-N
- SMILES
- O([C@H]1[C@@H]([C@@H](O)[C@H](O)[C@@H](CO)O1)O)C/C=C/C1C=CC=CC=1 |&1:1,2,3,5,7,r|
- CAS データベース
- 85026 · 85026-55-7
安全と法規制
GHS分類
危険有害性情報
安全データ
- F
- 10-21
- wgk
- 1
- rtecs
- VL0480000
- hs_code
- 38061010
- risk_code
- 43
- hazard_code
- Xi
- safety_code
- 24-37
- ストレージクラス
- 11 - Combustible Solids
化学と産業
応用分野
一般的な説明Rosin, formerly called colophony, is a solid form of resin obtained from several pine trees extensively found in Asia, Europe and North America and to a lesser extent from other conifers conifers. It is prepared by cutting a long slice in the tree to allow exudation and to collect the liquid resin in containers. Afterwards the liquid resin is steam heated to remove volatile terpene and turpentine and leaving gum rosin as residue. It is semi-transparent and varies in color from yellow to black. It chiefly consists of different organic acids, among those abietic acid (C19H29COOH) is the most important. Rosin is a brittle and friable resin, with a faint piney odor; the melting-point varies with different specimens, some being semi-fluid at the temperature of boiling water, while others melt between 100°C to 120°C. It is very flammable, burning with a smoky flame. It is soluble in alcohol, ether, benzene and chloroform. Rosin combines with caustic alkalis to yield salts called rosinates or pinates that are known as rosin soaps. In addition to its extensive use in soap making, rosin is largely employed in making inferior varnishes, sealing-wax and various adhesives.
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