2,6-Dimethyl-1,3-Dioxan-4-Ol Acetate
[CAS# 828-00-2]

Identification

• Name: 2,6-Dimethyl-1,3-Dioxan-4-Ol Acetate
• Synonyms: Acetic Acid (2,6-Dimethyl-1,3-Dioxan-4-Yl) Ester; (2,6-Dimethyl-1,3-Dioxan-4-Yl) Ethanoate; Ncgc00090862-02
• Molecular Formula: C₈H₁₄O₄
• Molecular Weight: 174.20
• CAS Registry Number: 828-00-2
• EINECS: 212-579-9
• SMILES: CC1CC(OC(C)O1)OC(C)=O
• InChI: 1S/C8H14O4/c1-5-4-8(11-6(2)9)12-7(3)10-5/h5,7-8H,4H2,1-3H3
• InChIKey: PHMNXPYGVPEQSJ-UHFFFAOYSA-N

Properties

• Density: 1.087g/cm³ (Cal.)
• Boiling point: 212.34°C at 760 mmHg (Cal.)
• Flash point: 83.309°C (Cal.)

References

• (1): Hidetaka Takigami, Go Suzuki and Shin-ichi Sakai. Screening of dioxin-like compounds in bio-composts and their materials: chemical analysis and fractionation-directed evaluation of AhR ligand activities using an in vitro bioassay, J. Environ. Monit., 2010, 12, 2080.