4-hydroxy-4-methyloxan-2-one

• ChemBase编号: 137926
• 分子式: C6H10O3
• 平均质量: 130.1418
• 单一同位素质量: 130.06299418
• SMILES: CC1(CCOC(=O)C1)O
• Canonical SMILES: O=C1OCCC(C1)(C)O
• InChI: InChI=1S/C6H10O3/c1-6(8)2-3-9-5(7)4-6/h8H,2-4H2,1H3
• InChIKey: JYVXNLLUYHCIIH-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-hydroxy-4-methyloxan-2-one
• IUPAC传统名: 4-hydroxy-4-methyloxan-2-one
• 别名: (±)-甲瓦龙酸内酯; β-羟基-β-甲基-δ-戊内酯; (±)-β-羟基-β-甲基-δ-戊内酯; (±)-3-羟基-3-甲基 δ-戊内酯; (±)-甲瓦龙酸内酯; (±)-甲羟戊酸内酯; 甲瓦龙酸内酯; DL-Mevalolactone; DL-Mevalonic acid lactone; (±)-Mevalonolactone; (±)-Mevalonic acid lactone; β-Hydroxy-β-methyl-δ-valerolactone; (±)-β-Hydroxy-β-methyl-δ-valerolactone; (±)-Mevalolactone; (±)-Mevalonolactone; (±)-3-Hydroxy-3-methyl δ-valerolactone; Mevalonic lactone; Tetrahydro-4-hydroxy-4-methyl-2H-pyran-2-one; D,L-β-Hydroxy-β-methyl-δ-valerolactone; DL-Mevalonolactone; Mevalonic lactone; Mevalonolactone; NSC 90804; D,L-Mevalonic Acid Lactone

登记号

• CAS号: 674-26-0
• EC号: 211-615-0
• MDL号: MFCD00006648
• Beilstein号: 80960
• PubChem SID: 24896934; 162232186
• PubChem CID: 10428

理论计算性质

• Acid pKa: 14.71489
• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -0.42890844
• LogD (pH = 7.4): -0.42890847
• Log P: -0.42890844
• 摩尔折射率: 31.0192 cm^3
• 极化性: 12.506425 Å^3
• 极化表面积: 46.53 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: Dichloromethane; Ethanol; Ethyl Acetate; Methanol
• 外观: Pale Yellow Oil
• 熔点: 24-27 °C; 28 °C(lit.)
• 沸点: 145-150 °C/5 mmHg(lit.)
• 闪点: 113 °C; 235.4 °F
• 折射率: n20/D 1.473(lit.)

安全信息

• 保存条件: Hygroscopic, Refrigerator, Under Inert Atmosphere
• 保存注意事项: Hygroscopic
• 德国WGK号: 3
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• 保存温度: -20°C; 2-8°C

产品相关信息

• 纯度: ~97% (titration); ≥96.0% (T); 97%
• 级别: purum
• 杂质: salt, none detected
• Empirical Formula (Hill Notation): C6H10O3

详细说明

Sigma Aldrich - M4667

Frequently Asked Questions
Live Chat and Frequently Asked Questions are available for this Product.
Other Notes
May also be liquid!
Tandem Mass Spectrometry data independently generated by Scripps Center for Metabolomics is available to view or download in PDF. M4667.pdf Tested metabolites are featured on Scripps Center for Metabolomics METLIN Metabolite Database. To learn more, visit sigma.com/metlin.
包装
1, 5, 10 g in glass bottle

Sigma Aldrich - 286702

Other Notes
含甲瓦龙酸

Sigma Aldrich - 69761

Caution
can form fused mass at low temperatures
Other Notes
Lactone of mevalonic acid which is a very important connecting link in the biosynthesis of isoprenoids1,2,3,4

Toronto Research Chemicals - M339025

A metabolite from endophytes of the medicinal plant Erythrina crista-galli.

参考文献

• Stadler, M., et al.: Planta Med., 60, 128 (1994)
• Kopcke, B., et al.: Phytochemistry, 60, 709 (1994)
• Chu, M., et al.: J. Nat. Prod., 66, 1527 (1994)
• Weber, D., et al.: J. Antibiot., 57, 559 (1994)