Cyclohexane-1,2,3,4,5,6-hexayl hexaacetate
Basic information
- CAS
1254-38-2- Standard SMILES
CC(=O)OC1C(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O- InChIKey
SQUHHTBVTRBESD-UHFFFAOYSA-N- Molecular formula
- C18H24O12
- Average molar mass
- 432.4 g/mol
- Monoisotopic mass
- 432.1267762
Names & identifiers
- Preferred name
- Cyclohexane-1,2,3,4,5,6-hexayl hexaacetate
- IUPAC
- (2,3,4,5,6-pentaacetyloxycyclohexyl) acetate
- English name
- myo-Inositol Hexaacetate
- Molecular formula
- C18H24O12
- Molecular weight
- 432.38
Names & synonyms
Cyclohexane-1,2,3,4,5,6-hexayl hexaacetateDTXSID40925122RefChem:1082489DTXCID3013539521254-38-2myo-Inositol HexaacetateMyo-inositol, hexaacetate1,2,3,4,5,6-Hexa-O-acetyl-myo-inositol(2,3,4,5,6-pentaacetyloxycyclohexyl) acetate2,3,4,5,6-Pentakis(acetyloxy)cyclohexyl acetate(1R,2R,3S,4R,5s,6S)-cyclohexane-1,2,3,4,5,6-hexayl hexaacetatemyo-Inositol, 1,2,3,4,5,6-hexaacetate
Show more names
Myo-Inositol 1,2,3,4,5,6-Hexaacetate
Myoinositol hexaacetate1-HoamiMesoinositol hexaacetateHexa-O-acetyl-myo-inositolInositol, hexaacetate, myo-Hexakis-O-acetyl-myo-inositolinositol hexaacetate1,2,3,4,5,6-Hexaacetylinositol
Database identifiers
- CAS
1254-38-2- PubChem CID
- 228282
- DTXSID
DTXSID40925122- Nikkaji
- J114.664E、J114.665C、J114.666A、J114.667J、J114.668H、J114.669F、J114.670J、J114.671H、J810.729G
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 158 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 12
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 547
Physicochemical properties
- Melting point
- 214 · 214-215°C
- Boiling point
- 471.8 · 471.8±45.0 °C(Predicted)
- Density
- 1.31 · 1.31±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C Freezer
- solubility
- Chloroform (Slightly), Methanol (Slightly, Heated)
- form
- Solid
- color
- White to Brown
- HS Code
- 2906139000 · 2906139000
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2906139000
Chemistry & industry
Applications
UsesInositol derivative.
Suppliers
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Related reactions
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Compound notes
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