Catalog |
ACM61597986 |
CAS |
61597-98-6 |
Structure | |
Synonyms |
(S)-2-Hydroxypropionic acid (1R,2S,5R)-2-isopropyl-5-methylcyclohexyl ester |
IUPAC Name |
[(1R,2S,5R)-5-Methyl-2-propan-2-ylcyclohexyl] (2S)-2-hydroxypropanoate |
Molecular Weight |
228.33 |
Molecular Formula |
C13H24O3 |
Canonical SMILES |
CC1CCC(C(C1)OC(=O)C(C)O)C(C)C |
InChI |
InChI=1S/C13H24O3/c1-8(2)11-6-5-9(3)7-12(11)16-13(15)10(4)14/h8-12,14H,5-7H2,1-4H3/t9-,10+,11+,12-/m1/s1 |
InChI Key |
UJNOLBSYLSYIBM-NOOOWODRSA-N |
Boiling Point |
142 °C |
Melting Point |
42-47 °C |
Flash Point |
>230 °F |
Purity |
95%+ |
Density |
0.99±0.1 g/cm³ |
Exact Mass |
228.17254462 |
Isomeric SMILES |
C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)[C@H](C)O)C(C)C |
Monoisotopic Mass |
228.17254462 |
Physical State |
Crystalline |
Topological Polar Surface Area |
46.5 Ų |
For Research Use Only. Not for use in diagnostic or therapeutic procedures.