Basic information
- CAS
4744-47-2- Standard SMILES
OCC1(CO)COCC(CO)(CO)C1O- InChIKey
LCOOMOSZMKFHOC-UHFFFAOYSA-N- Molecular formula
- C9H18O6
- Average molar mass
- 222.24 g/mol
- Monoisotopic mass
- 222.11033829
Names & identifiers
- Preferred name
- Anhydroenneaheptitol
- IUPAC
- 3,3,5,5-tetrakis(hydroxymethyl)oxan-4-ol
- English name
- tetrahydro-3,3,5,5-tetrakis(hydroxymethyl)pyran-4-ol
- Molecular formula
- C9H18O6
- Molecular weight
- 222.24
Names & synonyms
AnhydroenneaheptitolEnneaheptitol, anhydro-3,3,5,5-Tetramethylol-4-hydroxypyranUNII-35JWE2OMU735JWE2OMU72H-Pyran-3,3,5,5(4H,6H)-tetramethanol, 4-hydroxy-Tetrahydro-3,3,5,5-tetrakis(hydroxymethyl)pyran-4-ol4-Hydroxy-3,3,5,5-tetrakis(hydroxymethyl)tetrahydropyranEINECS 225-259-9NSC 76094NSC-76094DTXSID6052118
Show more names
ANYHYDROENNEAHEPTITOL4-hydroxy-2H-Pyran-3,3,5,5(4H,6H)-tetramethanol
3,3,5,5-Tetrakis(hydroxymethyl)-4-hydroxy-tetrahydropyranRefChem:112770DTXCID80306874744-47-23,3,5,5-tetrakis(hydroxymethyl)oxan-4-olNSC76094SCHEMBL5191481LCOOMOSZMKFHOC-UHFFFAOYSA-N
Database identifiers
- CAS
4744-47-2- PubChem CID
- 78481
- DTXSID
DTXSID6052118- UNII
- 35JWE2OMU7
- EC Number
- 225-259-9
Properties
Computed structural properties
- XLogP
- -2.7
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 179
Experimental & physicochemical properties
Food Contact SubstancesFCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
Physicochemical properties
- Melting point
- 155 · 155-156 °C
- Boiling point
- 487.8 · 487.8±20.0 °C(Predicted)
- Density
- 1.341 · 1.341±0.06 g/cm3(Predicted)
- pka
- 13.67 · 13.67±0.60(Predicted)
- LogP
- -3.239 · -3.239 (est)
- Indirect Additives used in Food Contact Substances
- ANHYDROENNEAHEPTITOL
- FDA 21 CFR
- 175.105 · 175.105
- FDA UNII
- 35 JWE2OMU7 · 35JWE2OMU7
- EPA Substance Registry System
- 2 H-Pyran-3,3,5,5 · 2H-Pyran-3,3,5,5(4H,6H)-tetramethanol, 4-hydroxy- (4744-47-2)
- TSCA
- TSCA listed
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
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2H-Pyran-3,3,5,5(4H,6H)-tetramethanol, 4-hydroxy-: INACTIVE
Applications
UsesAlkyd resins, rosin esters, urethane coatings and foams, surfactants, lubricating oil additives.
Suppliers1 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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