(S)-(2,2-Dimethyl-1,3-dioxan-4-yl)methanol
Basic information
- CAS
85287-64-5- Standard SMILES
CC1(C)OCC[C@@H](CO)O1- InChIKey
VHFPDSDOOGPPBS-LURJTMIESA-N- Molecular formula
- C7H14O3
- Average molar mass
- 146.18 g/mol
- Monoisotopic mass
- 146.0942943
Names & identifiers
- Preferred name
- (S)-(2,2-Dimethyl-1,3-dioxan-4-yl)methanol
- IUPAC
- [(4S)-2,2-dimethyl-1,3-dioxan-4-yl]methanol
- English name
- (4S)-2,2-Dimethyl-1,3-dioxane-4-methanol
- Molecular formula
- C7H14O3
- Molecular weight
- 146.18
Names & synonyms
85287-64-5(S)-(2,2-Dimethyl-1,3-dioxan-4-yl)methanol[(4S)-2,2-Dimethyl-1,3-dioxan-4-yl]methanol(4S)-2,2-Dimethyl-1,3-dioxane-4-methanolSCHEMBL13305484DTXSID60509625AKOS016014509FD152417DB-003839CS-0312029(S)-2,2-Dimethyl-1,3-dioxane-4-methanol1,3-Dioxane-4-methanol, 2,2-dimethyl-, (4S)-
Database identifiers
- CAS
85287-64-5- PubChem CID
- 12778366
- DTXSID
DTXSID60509625
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 111
Physicochemical properties
- Density
- 1.004 · 1.004
- storage temp.
- 2 · 2-8°C
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- HS Code
- 2940000080 · 2940000080
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
- 2940000080
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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