CAS Registry Number: 16837-14-2

Name:

1,​3-​Dioxane-​5-​carboxylic acid, 2,​2,​5-​trimethyl-
m-​Dioxane-​5-​carboxylic acid, 2,​2,​5-​trimethyl- (8CI); 2,​2,​5-​Trimethyl-​1,​3-​dioxane-​5-​carboxylic acid 

Chemical Formula: C8H14O4
Exact Mass: 174.09
Molecular Weight: 174.19
m/z: 174.09 (100.0%), 175.09 (8.8%)
Elemental Analysis: C, 55.16; H, 8.10; O, 36.74

InChI: InChI=1S/C8H14O4/c1-7(2)11-4-8(3,5-12-7)6(9)10/h4-5H2,1-3H3,(H,9,10)
InChIKey: WZEWDEAIHCUMKY-UHFFFAOYSA-N
Canonical SMILES : CC1(OCC(CO1)(C)C(=O)O)C

Specification

98%

1. (1) Ropponen, Jarmo; Organic Letters 2004, V6(15), P2495-2497 CAPLUS
2. (2) Villard, Anne-Laure; Bioorganic & Medicinal Chemistry 2008, V16(15), P7321-7329 CAPLUS
3. (3) Coulembier, Olivier; Macromolecules 2006, V39(17), P5617-5628 CAPLUS
4. (4) Zhou, Yu; Macromolecular Rapid Communications 2005, V26(16), P1309-1314 CAPLUS
5. (5) Gouliaev, Alex Haahr; WO 2003078050 A2 2003 CAPLUS