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| CAS No.: | 26934-87-2 |
|---|---|
| Name: | HT-2 TOXIN |
| Molecular Structure: | |
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|
|
| Formula: | C22H32 O8 |
| Molecular Weight: | 424.491 |
| Synonyms: | Trichothec-9-ene-3a,4b,8a,15-tetrol, 12,13-epoxy-, 15-acetate 8-isovalerate (8CI);Isovaleric acid,8-ester with 12,13-epoxytrichothec-9-ene-3a,4b,8a,15-tetrol 15-acetate (8CI);3,4-Dihydroxy-15-acetoxy-8-(3-methylbutyryloxy)-12,13-epoxy-D9-trichothecene;HT 2;HT 2Toxin;Mycotoxin HT 2;NSC 278571;Toxin HT 2;HT-2 Toxin; |
| EINECS: | 200-835-2 |
| Density: | 1.3g/cm3 |
| Boiling Point: | 537.1°Cat760mmHg |
| Flash Point: | 179.8°C |
| Hazard Symbols: | T+,T,Xn,F |
| Risk Codes: | 26/27/28-36/37/38-36-20/21/22-11 |
| Safety: | Poison by ingestion and intraperitoneal routes. A skin irritant. When heated to decomposition it emits acrid smoke and irritating fumes. |
| PSA: | 114.82000 |
| LogP: | 1.12190 |
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Chemistry
Product Name: HT-2 Toxin (CAS NO.26934-87-2)
Molecular Formula: C22H32O8
Molecular Weight: 424.48g/mol
Mol File: 26934-87-2.mol
Boiling point: 537.1 °C at 760 mmHg
Storage Temperature: −20°C
Flash Point: 179.8 °C
Density: 1.3 g/cm3
Surface Tension: 53.2 dyne/cm
Enthalpy of Vaporization: 93.6 kJ/mol
Vapour Pressure: 8.92E-14 mmHg at 25°C
XLogP3-AA: 0.4
H-Bond Donor: 2
H-Bond Acceptor: 8
Structure Descriptors of HT-2 Toxin (CAS NO.26934-87-2):
Canonical SMILES: CC1=CC2C(CC1OC(=O)CC(C)C)(C3(C(C(C(C34CO4)O2)O)O)C)COC(=O)C
Isomeric SMILES: CC1=C[C@@H]2[C@](C[C@@H]1OC(=O)CC(C)C)([C@]3([C@@H]([C@H]([C@H]([C@]34CO4)O2)O)O)C)COC(=O)C
InChI: InChI=1S/C22H32O8/c1-11(2)6-16(24)29-14-8-21(9-27-13(4)23)15(7-12(14)3)30-19-17(25)18(26)20(21,5)22(19)10-28-22/h7,11,14-15,17-19,25-26H,6,8-10H2,1-5H3/t14-,15+,17+,18+,19+,20+,21+,22+/m0/s1
InChIKey: PNKLMTPXERFKEN-ZIOSACBISA-N
Product Categories: HA -HTBiotoxins; Alphabetic; H; Mycotoxins; Single component solutions
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| chicken | LD50 | oral | 7220ug/kg (7.22mg/kg) | GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" BEHAVIORAL: MUSCLE WEAKNESS BEHAVIORAL: FOOD INTAKE (ANIMAL) | Applied and Environmental Microbiology. Vol. 35, Pg. 636, 1978. |
| guinea pig | LD50 | oral | 500ug/kg (0.5mg/kg) | BLOOD: HEMORRHAGE | Developments in Food Science. Vol. 4, Pg. 135, 1983. |
| mouse | LD50 | intraperitoneal | 6500ug/kg (6.5mg/kg) | Agricultural and Biological Chemistry. Vol. 46, Pg. 2613, 1982. | |
| mouse | LD50 | oral | 3800ug/kg (3.8mg/kg) | "CRC Handbook of Antibiotic Compounds," Vols.1- , Berdy, J., Boca Raton, FL, CRC Press, 1980Vol. 6, Pg. 191, 1981. | |
| mouse | LD50 | subcutaneous | 6700ug/kg (6.7mg/kg) | Toxicon. Vol. 24, Pg. 985, 1986. | |
| rat | LD50 | intracrebral | 52ug/kg (0.052mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: FLUID INTAKE BEHAVIORAL: ATAXIA | Toxicon. Vol. 26, Pg. 923, 1988. |
| rat | LD50 | subcutaneous | 1mg/kg (1mg/kg) | Toxicon. Vol. 26, Pg. 923, 1988. |
Safety Profile
Poison by ingestion and intraperitoneal routes. A skin irritant. When heated to decomposition it emits acrid smoke and irritating fumes.
Safety Information of HT-2 Toxin (CAS NO.26934-87-2):
Hazard Codes: T+
,T
,Xn
,F
Risk Statements: 26/27/28-36/37/38-36-20/21/22-11
11: Highly Flammable
20: Harmful by inhalation
21: Harmful in contact with skin
22: Harmful if swallowed
26: Very Toxic by inhalation
27: Very Toxic in contact with skin
28: Very Toxic if swallowed
36: Irritating to the eyes
37: Irritating to the respiratory system
38: Irritating to the skin
Safety Statements: 22-26-36/37/39-45-36/37-16
16: Keep away from sources of ignition - No smoking
22: Do not breathe dust
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36: Wear suitable protective clothing
37: Wear suitable gloves
39: Wear eye/face protection
45: In case of accident or if you feel unwell, seek medical advice immediately (show label where possible)
Specification
HT-2 Toxin ,its CAS NO. is 26934-87-2,the synonyms is 12,13-Epoxytrichothec-9-ene-3,4,8,15-tetrol 15-acetate 8-(3-methylbutanoate), (3alpha,4beta,8alpha)- ; 12,13-Epoxytrichothec-9-ene-3-alpha,4-beta,8-alpha,15-tetrol 15-acetate 8-isovalerate ; HT-2 ; Mycotoxin HT 2 ; NSC 278571 ; Toxin HT 2 ; 15-Acetoxy-3,4-dihydroxy-8-(3-methylbutyryloxy)-12,13-epoxy delta9-trichothecene ; Trichothec-9-ene-3,4,8,15-tetrol, 12,13-epoxy-, 15 acetate 8-(3-methylbutanoate), (3alpha,4abeta,8alpha)- (9CI) ; Trichothec-9-ene-3-alpha,4-beta,8-alpha,15-tetrol, 12,13-epoxy-, 15-acetate, 8-isovalerate ; Trichothec-9-ene-3alpha,4beta,8alpha,15-tetrol, 12,13-epoxy-, 15-acetate 8-isovalerate (8CI) .