(3S,6S)-3,6-dimethyl-1,4-dioxane-2,5-dione

• ChemBase编号: 145993
• 分子式: C6H8O4
• 平均质量: 144.12532
• 单一同位素质量: 144.04225874
• SMILES: C[C@H]1C(=O)O[C@H](C(=O)O1)C
• Canonical SMILES: C[C@@H]1OC(=O)[C@@H](OC1=O)C
• InChI: InChI=1S/C6H8O4/c1-3-5(7)10-4(2)6(8)9-3/h3-4H,1-2H3/t3-,4-/m0/s1
• InChIKey: JJTUDXZGHPGLLC-IMJSIDKUSA-N

名称和登记号

名称

• IUPAC标准名: (3S,6S)-3,6-dimethyl-1,4-dioxane-2,5-dione
• IUPAC传统名: polylactic acid
• 别名: L-丙交酯; 左旋乳酸; L-Lactide; (3S)-cis-3,6-Dimethyl-1,4-dioxane-2,5-dione; (3S,6S)-3,6-Dimethyl-1,4-dioxane-2,5-dione; (3S-cis)-3,6-Dimethyl-1,4-dioxane-2,5-dione; L-3,6-Dimethyl-p-dioxane-2,5-dione; (-)-L-Dilactide; (S,S)-3,6-Dimethyl-1,4-dioxane-2,5-dione; L,L-Dilactide; L-Dilactide; LL-Lactide; Purasorb L; L-(-)-Lactide

登记号

• CAS号: 4511-42-6
• EC号: 224-832-0
• MDL号: MFCD00070594
• PubChem SID: 162240193; 24862385
• PubChem CID: 107983

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 0.3852832
• LogD (pH = 7.4): 0.3852832
• Log P: 0.3852832
• 摩尔折射率: 30.6952 cm^3
• 极化性: 12.73627 Å^3
• 极化表面积: 52.6 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

• 熔点: 92-94 °C(lit.)
• 比旋光度: [α]20/D -285°, c = 1 in toluene

安全信息

• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 德国WGK号: 3
• 危险公开号: 36/37/38
• 安全公开号: 26-37/39
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H315-H319-H335
• GHS警示性声明: P261-P305 + P351 + P338
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves
• 保存温度: 2-8°C

产品相关信息

• 纯度: 98%
• Empirical Formula (Hill Notation): C6H8O4

详细说明

Sigma Aldrich - 367044

包装
100 g in poly bottle
25 g in glass bottle
Application
用于合成可生物降解的共聚物。1,2,3

Toronto Research Chemicals - L113600

L-(-)-Lactide is a cyclic lactic acid derivative used in the ring-opening polymerization of Poly-L-lactic acid (PLLA), which is commonly found in biodegradable plastics. Polymers derived from L-(-)-Lactide also provide a therapeutic use in the field of pr

参考文献

• Nakamura, T. et al.: J. Biomed. Mat. Res., 23, 1115 (1999)
• Otto, T.E. et al.: J. Biomed. Mat. Res., 32, 513 (1999)
• Kale, G. et al.: Pach. Technol. Sci., 20, 49 (1999)