基本情報
- CAS
125-93-9- 標準SMILES
CC(C)C1C=C2CCC3C(C)(C(=O)OCC(COC(=O)C4(C)CCCC5(C)C6CCC(C(C)C)C=C6CCC45)OC(=O)C4(C)CCCC5(C)C6CCC(C(C)C)C=C6CCC45)CCCC3(C)C2CC1- InChIKey
KZAOFYDFGRIAQU-UHFFFAOYSA-N- 分子式
- C63H98O6
- 平均分子量
- 951.4 g/mol
- 単同位体質量
- 950.73634084
名称と識別子
- 優先名称
- Abietic acid, dihydro-, triester with glycerol
- IUPAC
- 2,3-bis[(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,9,10,10a-decahydrophenanthrene-1-carbonyl)oxy]propyl 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,9,10,10a-decahydrophenanthrene-1-carboxylate
- 現地名
- トリス[(1R)-1,2,3,4,4a,4bα,5,6,7,9,10,10aα-ドデカヒドロ-7-イソプロピル-1,4aβ-ジメチルフェナントレン-1α-カルボン酸]1,2,3-プロパントリイル
- 英語名
- 1,2,3-propanetriyl [1R-(1alpha,4abeta,4balpha,10aalpha)]-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-7-isopropyl-1,4a-dimethylphenanthren-1-carboxylate
- 分子式
- C63H98O6
- 分子量
- 951.45
名称と別名
125-93-9Abietic acid, dihydro-, triester with glycerolHSDB 5607EINECS 204-761-1DTXSID8010145591-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-1,4a-dimethyl-7-(1-methylethyl)-, 1,2,3-propanetriyl ester, (1R-(1alpha,4abeta,4balpha,10aalpha))-1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-1,4a-dimethyl-7-(1-methylethyl)-, 1,1',1''-(1,2,3-propanetriyl) ester, (1R,1'R,1''R,4aR,4'aR,4''aR,4bR,4'bR,4''bR,10aR,10'aR,10''aR)-1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-1,4a-dimethyl-7-(1-methylethyl)-, 1,2,3-propanetriyl ester, (1theta-(1alpha,4abeta,4balpha,10aalpha))-RefChem:108530DTXCID9014371281,2,3Propanetriyl (1R(1alpha,4abeta,4balpha,10aalpha))1,2,3,4,4a,4b,5,6,7,9,10,10adodecahydro7isopropyl1,4adimethylphenanthren1carboxylate1Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,7,9,10,10adodecahydro1,4adimethyl7(1methylethyl), 1,1',1''(1,2,3propanetriyl) ester, (1R,1'R,1''R,4aR,4'aR,4''aR,4bR,4'bR,4''bR,10aR,10'aR,10''aR)
物性
構造計算による物性
- XLogP
- 17.2
- 極性表面積
- 78.9 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 6
- 回転可能結合数
- 14
- 重原子数
- 69
- 形式電荷
- 0
- 複雑度
- 1,950
実験および物理化学的性質
Chemical ClassesBiological Agents -> Rosin and Derivatives
物理化学的性質
- 比重(密度)
- 1.08 · 1.08±0.1 g/cm3(Predicted)
- EPAの化学物質情報
- 1 · 1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-1,4a-dimethyl-7-(1-methylethyl)-, 1,2,3-propanetriyl ester, (1R,1'R,1''R,4aR,4'aR,4''aR,4bR,4'bR,4''bR,10aR,10'aR,10''aR)- (125-93-9)
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。
危険有害性情報
Regulatory Information
Chemical: 1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-1,4a-dimethyl-7-(1-methylethyl)-, 1,2,3-propanetriyl ester, [1R-(1.alpha.,4a.beta.,4b.alpha.,10a.alpha.)]-
1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-1,4a-dimethyl-7-(1-methylethyl)-, 1,2,3-propanetriyl ester, (1R,1'R,1''R,4aR,4'aR,4''aR,4bR,4'bR,4''bR,10aR,10'aR,10''aR)-: 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.
Hazards SummaryEmergency treatment: Non-toxic ingestion; [HSDB] See Abietic acid.
安全データ
- tsca
- TSCA listed
- 有毒物質データの
- 125-93-9(Hazardous Substances Data)
化学と産業
用途と製造
Uses
Used as a resin in adhesives and chewing gum; [HSDB]
Working with Glues and Adhesives [Category: Other]
TACKIFYING RESIN FOR ADHESIVES-ESP HOT-MELT ADHESIVES
TACKIFYING RESIN IN CHEWING GUM
U.S. Exports
(1979) No Data
(1981) No Data
U.S. Imports
(1979) No Data
(1981) No Data
U.S. Production
(1979) No Data
(1981) No Data
Methods of ManufacturingHYDROGENATION OF ABIETIC ACID FOLLOWED BY REACTION WITH GLYCEROL
General Manufacturing Information1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-1,4a-dimethyl-7-(1-methylethyl)-, 1,1',1''-(1,2,3-propanetriyl) ester, (1R,1'R,1''R,4aR,4'aR,4''aR,4bR,4'bR,4''bR,10aR,10'aR,10''aR)-: ACTIVE
サプライヤー1 社
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
関連反応
0 件
現在のフィルター条件では反応記録がありません。
化合物ノート
読み込み中…