Products Categories
| CAS No.: | 554-35-8 |
|---|---|
| Name: | LINAMARIN |
| Molecular Structure: | |
|
|
|
| Formula: | C10H17 N O6 |
| Molecular Weight: | 247.248 |
| Synonyms: | Linamarin(6CI,7CI,8CI); 2-(b-D-Glucosyloxy)-2-methylpropionitrile; Phaseolunatin; a-Hydroxyisobutyronitrile b-D-glucose |
| Density: | 1.41g/cm3 |
| Melting Point: | 142-143°C |
| Boiling Point: | 473.3°Cat760mmHg |
| Flash Point: | 240°C |
| Hazard Symbols: | Xn |
| Risk Codes: | 20/22-36/37/38 |
| Safety: | Moderately toxic by ingestion. An experimental teratogen. When heated to decomposition it emits toxic fumes of NOx. |
| PSA: | 123.17000 |
| LogP: | -1.89492 |
- 81281-59-67-Benzylideneaminotheophylline
- 82993-81-5D-threo-Ritalinic acid hydrochloride
- 73441-42-6METHYL-5-CHLORO-2,2-DIMETHYLVALERATE
- 68439-39-4Poly(oxy-1,2-ethanediyl), alpha-(2-ethylhexyl)-omega-hydroxy-,
- 852475-26-4MC1568
- 958254-66-51H-Imidazo[4,5-b]pyridine-2-carboxaldehyde, 1-methyl-, hydrochloride
- 99170-93-1N-Methyl-2-oxazolamine
- 717878-06-31-(4-fluorophenyl)-4-nitro-1H-imidazole
- 914458-26-7[5-(2-fluorophenyl)-1-pentyl-1H-pyrrol-3-yl]-1-naphthalenyl-Methanone
- 894852-01-87-BROMO-2,2-DIMETHYL-2H-PYRIDO[3,2-B][1,4]OXAZIN-3(4H)-ONE
- 66432-53-9
2-(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyloxy)isobutyronitrile
- 554-35-8
linamarin
| Conditions | Yield |
|---|---|
| With potassium carbonate In methanol for 0.25h; | 80% |
| Conditions | Yield |
|---|---|
| With culture nutrient solution; Turnera angustifolia Miller shoots In water for 72h; hydroxylation; illumination; | 6.8% |
| Conditions | Yield |
|---|---|
| With β-glucosidase (EC No. 3.2.1.21) In water at 37℃; for 2h; | A 40.1 mg B 51.7 mg |
| Conditions | Yield |
|---|---|
| With hydrogenchloride for 1h; Product distribution; Ambient temperature; |
- 74808-10-9
O-(2,3,4,6-Tetra-O-acetyl-α-D-glucopyranosyl)trichloroacetimidate
- 554-35-8
linamarin
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1: 31 percent / BF3*Et2O / CH2Cl2 / 1.) -50 deg C, 15 min,2.) -50 deg C to room temperature, 3 h 2: 1.) COCl)2, DMSO, 2.) Et3N / 1.) CH2Cl2, -78 deg C, 10 min, 2.) -78 deg C, 15 min 3: 80 percent / K2CO3 / methanol / 0.25 h View Scheme |
- 207512-69-4
2-(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyloxy)isobutyramide
- 554-35-8
linamarin
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: 1.) COCl)2, DMSO, 2.) Et3N / 1.) CH2Cl2, -78 deg C, 10 min, 2.) -78 deg C, 15 min 2: 80 percent / K2CO3 / methanol / 0.25 h View Scheme |
- 554-35-8
linamarin
- 108-24-7
acetic anhydride
- 66432-53-9
2-(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyloxy)isobutyronitrile
| Conditions | Yield |
|---|---|
| With pyridine Ambient temperature; | |
| With pyridine | 158 mg |
| With pyridine | 158 mg |
| Conditions | Yield |
|---|---|
| With water; β-glucosidase at 30 - 70℃; Thermodynamic data; enzymatic hydrolysis: β-glucosidase from Manihot esculante Crantz cv. Merah Jambu; leaf enzyme: ΔEact=3.0 kcal/mol; peel enzyme: ΔEact=4.0 kcal/mol; tuber cortex enzyme ΔEact=3.5 kcal/mol; pH 3-7, 6-8; |
- 554-35-8
linamarin
| Conditions | Yield |
|---|---|
| With sodium citrate buffer; linamarase Product distribution; 1.) 50 deg C, 90 min, 2.) 3 h, room temperature; enzyme activity, effect of temperature; |
- 554-35-8
linamarin
- 291301-62-7
2-(β-D-glucopyranosyloxy)-2-methylpropanamide
| Conditions | Yield |
|---|---|
| With water; dihydrogen peroxide at 40℃; for 24h; pH=6.8; Radziszewski reaction; aq. phosphate buffer; |
What can I do for you?
Get Best Price
Chemistry
Molecular Structure of 2-(beta-D-Glucopyranosyloxy)isobutyronitrile (CAS NO. 554-35-8):
IUPAC Name: 2-Methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropanenitrile
Molecular Formula: C10H17NO6
Molecular Weight: 247.245080 g/mol
XLogP3: -1.8
H-Bond Donor: 4
H-Bond Acceptor: 7
Canonical SMILES: CC(C)(C#N)OC1C(C(C(C(O1)CO)O)O)O
Isomeric SMILES: CC(C)(C#N)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
InChI: InChI=1S/C10H17NO6/c1-10(2,4-11)17-9-8(15)7(14)6(13)5(3-12)16-9/h5-9,12-15H,3H2,1-2H3/t5-,6-,7+,8-,9+/m1/s1
InChIKey: QLTCHMYAEJEXBT-ZEBDFXRSSA-N
Index of Refraction: 1.549
Molar Refractivity: 55.76 cm3
Molar Volume: 175.1 cm3
Surface Tension: 69.1 dyne/cm
Density: 1.41 g/cm3
Flash Point: 240 °C
Enthalpy of Vaporization: 84.89 kJ/mol
Boiling Point: 473.3 °C at 760 mmHg
Vapour Pressure: 6.02E-11 mmHg at 25 °C
Melting Point: 142-143 °C
Water Solubility: mg/L at 25 °C
Storage Temp.: 2-8 °C
BRN: 0019237
Toxicity Data With Reference
| 1. | orl-rat LDLo:500 mg/kg | TXAPA9 Toxicology and Applied Pharmacology. 42 (1977),539. |
Safety Profile
Safety Information of 2-(beta-D-Glucopyranosyloxy)isobutyronitrile (CAS NO. 554-35-8):
Hazard Codes: Xn 
Risk Statements: 20/22-36/37/38
R20/22:Harmful by inhalation and if swallowed
R36/37/38:Irritating to eyes, respiratory system and skin
Safety Statements: 26-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
S36:Wear suitable protective clothing
RTECS TZ4850000
Moderately toxic by ingestion. An experimental teratogen. When heated to decomposition it emits toxic fumes of NOx.
Specification
2-(beta-D-Glucopyranosyloxy)isobutyronitrile with cas registry number of 554-35-8 is white crystalline solid which can be found in the seed skins and embryos of flax. It is also known as 2-(beta-D-Glucopyranosyloxy)-2-methylpropanenitrile ; 5-17-07-00397 (Beilstein Handbook Reference) ; HSDB 3507 ; Linamarin ; Phaseolunatin ; Propanenitrile, 2-(beta-D-glucopyranosyloxy)-2-methyl- ; alpha-Hydroxyisobutyronitrile-beta-D-glucose .