4,6,6,7,8,8-hexamethyl-1H,3H,4H,6H,7H,8H-indeno[5,6-c]pyran

• ChemBase编号: 169572
• 分子式: C18H26O
• 平均质量: 258.39844
• 单一同位素质量: 258.19836545
• SMILES: c12c(cc3c(c1)COCC3C)C(C(C2(C)C)C)(C)C
• Canonical SMILES: CC1COCc2c1cc1c(c2)C(C(C1(C)C)C)(C)C
• InChI: InChI=1S/C18H26O/c1-11-9-19-10-13-7-15-16(8-14(11)13)18(5,6)12(2)17(15,3)4/h7-8,11-12H,9-10H2,1-6H3
• InChIKey: ONKNPOPIGWHAQC-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4,6,6,7,8,8-hexamethyl-1H,3H,4H,6H,7H,8H-indeno[5,6-c]pyran
• IUPAC传统名: galaxolide
• 别名: 1,3,4,6,7,8-Hexahydro-4,6,6,7,8,8-hexamethylcyclopenta[g]-2-benzopyran; 1,3,4,6,7,8-Hexahydro-4,6,6,7,8,8-hexamethylcyclopenta[g]-2-benzopyrane; Abbalide; Galaxolide; Galaxolide 50BB; Galaxolide 50IPM; Galaxolide White; Pearlide; HHCB; Galaxolide (Mixture of Diastereomers); Galaxolide (solution 50% in diethyl phthalate); 4,6,6,7,8,8-Hexamethyl-1,3,4,6,7,8-hexahydrocyclopenta[g]isochromene

登记号

• CAS号: 1222-05-5
• MDL号: MFCD00217003
• PubChem SID: 162263704
• PubChem CID: 91497

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 4.722721
• LogD (pH = 7.4): 4.722721
• Log P: 4.722721
• 摩尔折射率: 80.8835 cm^3
• 极化性: 31.450024 Å^3
• 极化表面积: 9.23 Å^2
• 可自由旋转的化学键: 0
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: Chloroform; Ethyl Acetate
• 外观: Colorless Oil

安全信息

• 保存条件: Refrigerator

产品相关信息

• 纯度: 95+%

详细说明

Toronto Research Chemicals - G189001

Galaxolide is a polycyclic musk (PCM) used as a fragrance ingredient in perfumes, soaps, cosmetics and detergents.

Toronto Research Chemicals - G189000

Galaxolide is a polycyclic musk (PCM) used as a fragrance ingredient in perfumes, soaps, cosmetics and detergents.

参考文献

• Mori, T. et al.: J. Health Sci., 52, 276 (2006)
• Chen Y. et al.: Flav. Frag. J., 21, 822 (2006)
• Mori, T. et al.: J. Health Sci., 52, 276 (2006)
• Chen Y., et al.: Flav. Frag. J., 21, 822 (2006)