DHURRIN Chemical Properties

Melting point:

200°C (dec.)

alpha 

D20 -65° (alc)

Boiling point:

586.7±50.0 °C(Predicted)

Density 

1.56±0.1 g/cm3(Predicted)

storage temp. 

room temp

pka

9.19±0.26(Predicted)

form 

powder or crystals

color 

white to light brown

InChI

1S/C14H17NO7/c15-5-9(7-1-3-8(17)4-2-7)21-14-13(20)12(19)11(18)10(6-16)22-14/h1-4,9-14,16-20H,6H2/t9-,10-,11-,12+,13-,14-/m1/s1

InChIKey

NVLTYOJHPBMILU-YOVYLDAJSA-N

SMILES

OC[C@H]1O[C@@H](O[C@H](C#N)c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O || OC[C@H]1O[C@@H](O[C@H](C#N)c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O

LogP

-1.650 (est)

Safety Information

Hazard Codes 

Xn

Risk Statements 

22

Safety Statements 

22-45

WGK Germany 

3

Storage Class

11 - Combustible Solids

Hazard Classifications

Acute Tox. 4 Oral

DHURRIN Usage And Synthesis

Uses

Dhurrin is a cyanogenic glucoside produced by sorghum and is considered a natural defense compound producing hydrogen cyanide to deter animal herbivores.

Definition

ChEBI: (S)-4-hydroxymandelonitrile beta-D-glucoside is a beta-D-glucoside consisting of (S)-prunasin carrying a hydroxy substituent at position 4 on the phenyl ring. It is a beta-D-glucoside, a nitrile, a cyanogenic glycoside and a monosaccharide derivative. It is functionally related to a (S)-prunasin.

DHURRIN(499-20-7)Related Product Information

• (3S,4S,5S,6S)-2-(methoxycarbonyl)-6-(p-tolylthio)tetrahydro-2H-pyran-3,4,5-triyl tris(2-methylpropanoate)
• PRUNASIN
• LINAMARIN
• (2RS)-Lotaustralin
• dhurrin-6'-glucoside
• Methoxyacetonitrile
• 3-Ethoxypropionitrile
• Acetaldehyde benzyl ethyl acetal
• DL-4-HYDROXYMANDELONITRILE
• 2-HYDROXYPROPIONITRILE
• BENZYL BETA-D-GLUCOPYRANOSIDE
• DHURRIN
• Mandelonitrile
• 2-BENZYLOXYTETRAHYDROPYRAN