554-35-8
Product Name:
LINAMARIN
Formula:
C10H17NO6
Synonyms:
α-Hydroxyisobutyronitrile β-D -glucose;2-(β-D -Glucopyranosyloxy)-2-methylpropionitrile;Linamarin
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid; [Merck Index] |
|---|---|
| Color/Form | NEEDLES |
| Taste | BITTER |
| Melting Point | 142-143 °C |
| Solubility | FREELY SOL IN WATER, COLD ALCOHOL, HOT ACETONE; SLIGHTLY SOL IN HOT ETHYL ACETATE, ETHER, BENZENE, CHLOROFORM; PRACTICALLY INSOL IN PETROLEUM ETHER |
| Optical Rotation | SPECIFIC OPTICAL ROTATION: -29 DEG @ 18 °C/D |
| Collision Cross Section | 157.3 Ų [M+Na]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards] |
| Chemical Classes | Biological Agents -> Plant Oils and Extracts |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. P302+P352:IF ON SKIN: wash with plenty of soap and water. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
COMPUTED DESCRIPTORS
| Molecular Weight | 247.24 g/mol |
|---|---|
| XLogP3 | -1.8 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 3 |
| Exact Mass | 247.10558726 g/mol |
| Monoisotopic Mass | 247.10558726 g/mol |
| Topological Polar Surface Area | 123 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 311 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 5 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Linamarin is a beta-D-glucoside. It is functionally related to a 2-hydroxy-2-methylpropanenitrile.