Catalog |
ACM61931815 |
CAS |
61931-81-5 |
Structure | |
Synonyms |
Propanoic acid, 2-hydroxy-, (3Z)-3-hexen-1-yl ester |
IUPAC Name |
[(Z)-Hex-3-enyl] 2-hydroxypropanoate |
Molecular Weight |
172.22 |
Molecular Formula |
C9H16O3 |
Canonical SMILES |
CCC=CCCOC(=O)C(C)O |
InChI |
InChI=1S/C9H16O3/c1-3-4-5-6-7-12-9(11)8(2)10/h4-5,8,10H,3,6-7H2,1-2H3/b5-4- |
InChI Key |
NNLLMULULOBXBY-PLNGDYQASA-N |
Boiling Point |
71 °C |
Flash Point |
>230 °F |
Purity |
99% |
Density |
0.982 g/mL at 25 °C(lit.) |
Solubility |
Slightly soluble in water; soluble in organic solvents, oils |
Exact Mass |
172.109944368 |
Isomeric SMILES |
CC/C=C\CCOC(=O)C(C)O |
Monoisotopic Mass |
172.109944368 |
Physical State |
Liquid |
Refractive Index |
n20/D 1.446(lit.) |
Topological Polar Surface Area |
46.5 Ų |
For Research Use Only. Not for use in diagnostic or therapeutic procedures.