Product Name

  • Name

    3β-Hydroxy-5-hydroperoxy-5α-cholest-6-ene

  • EINECS
  • CAS No. 3328-25-4
  • Article Data23
  • CAS DataBase
  • Density 1.059g/cm3
  • Solubility
  • Melting Point
  • Formula C27H46O3
  • Boiling Point 518.984°C at 760 mmHg
  • Molecular Weight 418.66
  • Flash Point 267.672°C
  • Transport Information
  • Appearance
  • Safety Questionable carcinogen with experimental neoplastigenic data. Mutation data reported. When heated to decomposition it emits acrid smoke and irritating fumes.
  • Risk Codes
  • Molecular Structure Molecular Structure of 3328-25-4 (3β-Hydroxy-5-hydroperoxy-5α-cholest-6-ene)
  • Hazard Symbols
  • Synonyms 5&alpha,-hydroperoxycholesterol;chlolesterol 5Α-hydroperoxide;3β-hydroxy-5α-cholest-6-ene-5-hydroperoxide;3β-hydroxy-5α-hydroperoxycholest-6-ene;5α-hydroperoxycholest-6-en-3β-ol;5α-hydroperoxy-3β-hydroxycholest-6-ene;
  • PSA 49.69000
  • LogP 6.85680

Cholest-6-en-3-beta-ol, 5-alpha-hydroperoxide Chemical Properties

IUPAC Name: (3S,8S,9S,10R,13R,14S,17R)-5-Hydroperoxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol  
Following is the structure of Cholest-6-en-3-beta-ol, 5-alpha-hydroperoxide (CAS NO.3328-25-4):
                    
Empirical Formula: C27H46O3
Molecular Weight: 418.6523 g/mol
Index of Refraction: 1.537
Density: 1.059 g/cm3
Flash Point: 267.672 °C
Surface Tension: 42.672 dyne/cm
Enthalpy of Vaporization: 91.103 kJ/mol
Boiling Point of Cholest-6-en-3-beta-ol, 5-alpha-hydroperoxide (CAS NO.3328-25-4): 518.984 °C at 760 mmHg
Canonical SMILES: CC(C)CCCC(C)C1CCC2C1(CCC3C2C=CC4(C3(CCC(C4)O)C)OO)C
Isomeric SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C=CC4([C@@]3(CC[C@@H](C4)O)C)OO)C
InChI: InChI=1S/C27H46O3/c1-18(2)7-6-8-19(3)22-9-10-23-21-12-16-27(30-29)17-20(28)11-15-26(27,5)24(21)13-14-25(22,23)4/h12,16,18-24,28-29H,6-11,13-15,17H2,1-5H3/t19-,20+,21+,22-,23+,24+,25-,26-,27?/m1/s1
InChIKey: CUIXDAUTEMBARD-JYHISOCBSA-N

Cholest-6-en-3-beta-ol, 5-alpha-hydroperoxide Toxicity Data With Reference

1.    

mmo-sat 3600 nmol/L

     MUREAV    Mutation Research. 161 (1986),39.
2.    

ipr-mus TDLo:200 mg/kg:NEO

     STRAAA    Strahlentherapie. 124 (1964),626.

Cholest-6-en-3-beta-ol, 5-alpha-hydroperoxide Safety Profile

Questionable carcinogen with experimental neoplastigenic data. Mutation data reported. When heated to decomposition, Cholest-6-en-3-beta-ol, 5-alpha-hydroperoxide (CAS NO.3328-25-4) emits acrid smoke and irritating fumes.

Cholest-6-en-3-beta-ol, 5-alpha-hydroperoxide Specification

 Cholest-6-en-3-beta-ol, 5-alpha-hydroperoxide , its cas register number is 3328-25-4. It also can be called  3-beta-Hydroxy-5-alpha-cholest-6-ene-5-hydroperoxide ; Cholesterol-5-alpha-hydroperoxide ; and delta(sup 6)-Cholesten-3-beta-ol-5-alpha-hydroperoxyd . Its classification code are Mutation data and Tumor data.  

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