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| CAS No.: | 11024-24-1 |
|---|---|
| Name: | Digitonin |
| Molecular Structure: | |
|
|
|
| Formula: | C56H92O29 |
| Molecular Weight: | 1229.33 |
| Synonyms: | Digitin;beta-D-Galactopyranoside, (2alpha,3beta,5alpha,15beta,25R)-2,15-dihydroxyspirostan-3-yl O-beta-D-glucopyranosyl-(1-3)-O-beta-D-galactopyranosyl-(1-2)-O-(beta-D-xylopyranosyl-(1-3))-O-beta-D-glucopyranosyl-(1-4)-;Digitonin (8CI); |
| EINECS: | 234-255-6 |
| Density: | 1.59 g/cm3 |
| Melting Point: | 230-240 °C (dec.)(lit.) |
| Boiling Point: | 788.4°C (rough estimate) |
| Solubility: | 10 mg/mL at 95 °C in hot water |
| Appearance: | white crystalline powder |
| Hazard Symbols: |
 T
|
| Risk Codes: | 23/24/25 |
| Safety: | 22-28-36/37-45 |
| Transport Information: | UN 3462 6.1/PG 3 |
| PSA: | 454.67000 |
| LogP: | -6.50450 |
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Chemistry
Following is the structure of Digitin (CAS NO.11024-24-1):
Molecular Formula: C56H92O29
Molecular Weight:1229.48
EINECS:234-255-6
Density:1.59 g/cm3
Index of Refraction: 1.659
Molar Refractivity: 285.14 cm3
Molar Volume: 772.6 cm3
Surface Tension: 93.1 dyne/cm
Refractive index: -52 ° (C=1, EtOH)
Melting Point: 230-240 °C (dec.)(lit.)
Solubility: H2O: 10 mg/mL at 95 °C hot, clear, colorless
Storage temp. of Digitin (CAS NO.11024-24-1): Store at RT
Appearance of Digitin (CAS NO.11024-24-1): white crystalline powder
Product Categories of Digitin (CAS NO.11024-24-1): Nonionic Surfactants (for Biochemistry); Biochemistry; Glycosides; Steroidglycosides; Steroids; Sugars; Surfactants (for Biochemistry)
Canonical SMILES: CC1CCC2(C(C3C(O2)C(C4C3(CCC5C4CCC6C5(CC(C(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)CO)O)OC9C(C(C(CO9)O)O)O)OC2C(C(C(C(O2)CO)O)OC2C(C(C(C(O2)CO)O)O)O)O)O)O)O)C)C)O)C)OC1
InChI: InChI=1S/C56H92O29/c1-19-7-10-56(75-17-19)20(2)31-45(85-56)37(67)32-22-6-5-21-11-26(24(61)12-55(21,4)23(22)8-9-54(31,32)3)76-50-42(72)39(69)44(30(16-60)80-50)81-53-48(47(36(66)29(15-59)79-53)83-49-40(70)33(63)25(62)18-74-49)84-52-43(73)46(35(65)28(14-58)78-52)82-51-41(71)38(68)34(64)27(13-57)77-51/h19-53,57-73H,5-18H2,1-4H3
InChIKey: UVYVLBIGDKGWPX-UHFFFAOYSA-N
Toxicity Data With Reference
| 1. | sln-smc 250 ppb | ANYAA9 Annals of the New York Academy of Sciences. 407 (1983),186. | ||
| 2. | ivn-rat LD50:4 mg/kg | ARZNAD Arzneimittel-Forschung. Drug Research. 12 (1962),815. | ||
| 3. | orl-mus LDLo:90 mg/kg | HBAMAK “Abdernaldens Handbuch der Biologischen Arbeitsmethoden.“ 4 (1935),1289. | ||
| 4. | ipr-mus LD10:20 mg/kg | PCJOAU Pharmaceutical Chemistry Journal (English Translation). Translation of KHFZAN. 11 (1977),749. | ||
| 5. | scu-mus LDLo:200 mg/kg | HBAMAK “Abdernaldens Handbuch der Biologischen Arbeitsmethoden.“ 4 (1935),1289. | ||
| 6. | ivn-mus LDLo:10 mg/kg | HBAMAK “Abdernaldens Handbuch der Biologischen Arbeitsmethoden.“ 4 (1935),1289. |
Digitin (CAS NO.11024-24-1) hasn't been listed as a carcinogen by ACGIH, IARC, NTP, or CA Prop 65. And the toxicological properties have not been fully investigated. You can see actual entry in RTECS for complete information.
Consensus Reports
Reported in EPA TSCA Inventory.
Safety Profile
Poison by ingestion, intravenous, intraperitoneal, and subcutaneous routes. Mutation data reported. See also DIGITALIS. When heated to decomposition it emits acrid smoke and irritating fumes.
Hazard Codes: 
T
Risk Statements: 23/24/25
R23/24/25:Toxic by inhalation, in contact with skin and if swallowed.
Safety Statements: 22-28-36/37-45
S22:Do not breathe dust.
S28:After contact with skin, wash immediately with plenty of soap-suds.
S36/37:Wear suitable protective clothing and gloves.
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
RIDADR: UN 3462 6.1/PG 3
WGK Germany: 3
RTECS: IH2050050
F: 3-10
HazardClass: 6.1(a)
PackingGroup: II
Specification
Digitin , its cas register number 11024-24-1. It also can be called Digitogenin, glycoside ; Digitonin ; and Digitonine . Its classification code are Indicators and reagents and Mutation data. It can be stored in a cool, dry place. Or stored in a tightly closed container. It also should keep from contact with oxidizing materials.
Digitin (CAS NO.11024-24-1) is stable. It should avoid the condition like incompatible materials. It is not compatible with other Materials Strong oxidizing agents, strong acids. And also prevent it to broken down into hazardous decomposition products: carbon monoxide, carbon dioxide. However, its hazardous polymerization has not been reported.