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Cas Database |
| Name |
Dihydrotachysterol |
EINECS | 200-672-7 |
| CAS No. | 67-96-9 | Density | 1.003 g/cm3 |
| PSA | 20.23000 | LogP | 7.72090 |
| Solubility | N/A | Melting Point |
116-120°C |
| Formula | C28H46O | Boiling Point | 499.5 °C at 760 mmHg |
| Molecular Weight | 398.673 | Flash Point | 217.6 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | 36 | Risk Codes | 22 |
| Molecular Structure |
|
Hazard Symbols |
|
| Synonyms |
9,10-Secoergosta-5,7,22-trien-3-ol,(3b,5E,7E,10a,22E)- (9CI);Tachysterol,dihydro- (7CI,8CI);Tachysterol2, dihydro- (6CI);24-Methyl-9,10-secocholesta-5,7,22-trien-3b-ol;9,10-Secoergosta-5,7,22-trien-3b-ol;A.T. 10;A.T. 10 (steroid);Anti-tetany substance 10;Antitanil;Calcamine;DHT2;Dichystrolum;Dihydral; |
Article Data | 16 |
Dihydrotachysterol Synthetic route
- 51744-66-2
3β-hydroxy-9,10-secoergosta-5(E),7(E),10(19),22(E)-tetraene
A
- 65377-91-5
(3S,5E,7E,10R)-9,10-seco-ergosta-5,7,22t-trien-3-ol
B
- 67-96-9
Dihydrotachysterol2
| Conditions | Yield |
|---|---|
| With bis(cyclopentadienyl)titanium dichloride; lithium aluminium tetrahydride In tetrahydrofuran for 2.5h; | A 6.5% B 86% |
| With bis(cyclopentadienyl)titanium dichloride In tetrahydrofuran; toluene for 1.5h; Ambient temperature; | A 38% B 57% |
- 142980-94-7, 143060-77-9
dihydrotachysterol2 tert-butyldimethylsilyl ether
- 67-96-9
Dihydrotachysterol2
| Conditions | Yield |
|---|---|
| With tetrabutyl ammonium fluoride In tetrahydrofuran for 1h; Ambient temperature; | 86% |
| Conditions | Yield |
|---|---|
| With sodium; butan-1-ol | |
| With pentan-1-ol; sodium | |
| With sodium; glycerol; xylene | |
| With sodium; ethylene glycol; xylene | |
| Multi-step reaction with 2 steps 1: 58 percent / iodine / diethyl ether / 2.5 h 2: 86 percent / LiAlH4, Cp2TiCl2 / tetrahydrofuran / 2.5 h View Scheme |
- 67-96-9, 807-27-2, 7665-90-9, 34611-22-8, 62777-58-6, 65377-86-8, 65377-91-5, 116559-85-4, 116559-86-5, 143060-73-5
(3aR)-3ar-Methyl-3c-((1R:4R)-1.4.5-trimethyl-hexen-(2t)-yl)-7-[2-((2S)-5t-hydroxy-2r-methyl-cyclohexyliden-(seqcis))-aethyliden-(seqtrans)]-(7atH)-hexahydro-indan
- 67-96-9
Dihydrotachysterol2
| Conditions | Yield |
|---|---|
| ueber mehrere Stufen; |
| Conditions | Yield |
|---|---|
| With ammonia; lithium | |
| With sodium; diethylamine | |
| With sodium; N-methylaniline |
| Conditions | Yield |
|---|---|
| With ethanol; sodium | |
| With ethanol; sodium Isolierung als O-Allophanoyl-Derivat; |
- 104396-98-7
toxisterol2 R
- 67-96-9
Dihydrotachysterol2
| Conditions | Yield |
|---|---|
| ueber mehrere Stufen; |
- 56-23-5
tetrachloromethane
- 50-14-6
Calciferol
- 107-21-1
ethylene glycol
A
- 67-96-9
Dihydrotachysterol2
B
- 67-96-9, 807-27-2, 7665-90-9, 34611-22-8, 62777-58-6, 65377-86-8, 65377-91-5, 116559-85-4, 116559-86-5, 143060-73-5
(3aR)-3ar-Methyl-3c-((1R:4R)-1.4.5-trimethyl-hexen-(2t)-yl)-7-[2-((2S)-5t-hydroxy-2r-methyl-cyclohexyliden-(seqcis))-aethyliden-(seqtrans)]-(7atH)-hexahydro-indan
C
- 104396-98-7
toxisterol2 R
- 56-23-5
tetrachloromethane
- 50-14-6
Calciferol
- 56-81-5
glycerol
A
- 67-96-9
Dihydrotachysterol2
B
- 67-96-9, 807-27-2, 7665-90-9, 34611-22-8, 62777-58-6, 65377-86-8, 65377-91-5, 116559-85-4, 116559-86-5, 143060-73-5
(3aR)-3ar-Methyl-3c-((1R:4R)-1.4.5-trimethyl-hexen-(2t)-yl)-7-[2-((2S)-5t-hydroxy-2r-methyl-cyclohexyliden-(seqcis))-aethyliden-(seqtrans)]-(7atH)-hexahydro-indan
C
- 104396-98-7
toxisterol2 R
- 50-14-6
Calciferol
- 71-36-3
butan-1-ol
A
- 67-96-9
Dihydrotachysterol2
B
- 67-96-9, 807-27-2, 7665-90-9, 34611-22-8, 62777-58-6, 65377-86-8, 65377-91-5, 116559-85-4, 116559-86-5, 143060-73-5
(3aR)-3ar-Methyl-3c-((1R:4R)-1.4.5-trimethyl-hexen-(2t)-yl)-7-[2-((2S)-5t-hydroxy-2r-methyl-cyclohexyliden-(seqcis))-aethyliden-(seqtrans)]-(7atH)-hexahydro-indan
C
- 104396-98-7
toxisterol2 R
Dihydrotachysterol Chemical Properties
Product Name: Dihydrotachysterol (CAS NO.67-96-9)
Molecular Formula: C28H46O
Molecular Weight: 398.66g/mol
Mol File: 67-96-9.mol
Einecs: 200-672-7
Boiling point: 499.5 °C at 760 mmHg
Storage Temperature: 2-8°C
Flash Point: 217.6 °C
Density: 1.003 g/cm3
Surface Tension: 43 dyne/cm
Enthalpy of Vaporization: 88.44 kJ/mol
Vapour Pressure: 4.52E-12 mmHg at 25°C
XLogP3-AA: 7.7
H-Bond Donor: 1
H-Bond Acceptor: 1
Structure Descriptors of Dihydrotachysterol (CAS NO.67-96-9):
IUPAC Name: (1S,2E,3S)-2-[(2E)-2-[(7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-3-methylcyclohexan-1-ol
Canonical SMILES: CC1CCCC(C1=CC=C2CCCC3(C2CCC3C(C)C=CC(C)C(C)C)C)O
Isomeric SMILES: C[C@H]\1CCC[C@@H](/C1=C/C=C/2\CCC[C@]3(C2CCC3[C@H](C)/C=C/[C@H](C)C(C)C)
C)O
InChI: InChI=1S/C28H46O/c1-19(2)20(3)12-13-22(5)25-16-17-26-23(10-8-18-28(25,26)6)14-15-24-21(4)9-7-11-27(24)29/h12-15,19-22,25-27,29H,7-11,16-18H2,1-6H3/b13-12+,23-14+,24-15+/t20-,21-,22+,25?,26?,27-,28+/m0/s1
InChIKey: DTSXXSAWQHPLEF-GFVAUXBKSA-NUHFFFAOYSA-N
Dihydrotachysterol Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 104mg/kg (104mg/kg) | Drugs in Japan Vol. 6, Pg. 330, 1982. | |
| mouse | LD50 | oral | 288mg/kg (288mg/kg) | Drugs in Japan Vol. 6, Pg. 330, 1982. |
Dihydrotachysterol Safety Profile
Poison by ingestion and intraperitoneal routes. Experimental reproductive effects. When heated to decomposition it emits acrid smoke and irritating fumes.
Safety Information of Dihydrotachysterol (CAS NO.67-96-9):
Hazard Codes: Xn.gif){kind=small}
Risk Statements: 22
22: Harmful if swallowed
Safety Statements: 36
36: Wear suitable protective clothing
Dihydrotachysterol Specification
Dihydrotachysterol ,its CAS NO. is 67-96-9,the synonyms is 9,10-Secoergosta-5,7,22-trien-3beta-ol ; 9,10-Secoergosta-5,7,22-trien-3b-ol ; Dichystrolum ; Dihydrotachysterol ; Calcamine ; At-10 ; Antitanil ; 7,22-Trien-3-ol,(3-beta,5e,7e,10-alpha,22e)-10-secoergosta-5 .
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