Basic information
- CAS
22323-82-6- Standard SMILES
CC1(C)OC[C@H](CO)O1- InChIKey
RNVYQYLELCKWAN-YFKPBYRVSA-N- Molecular formula
- C6H12O3
- Average molar mass
- 132.16 g/mol
- Monoisotopic mass
- 132.07864424
Names & identifiers
- Preferred name
- (+)-Solketal
- IUPAC
- [(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
- English name
- (S)-(+)-2,2-Dimethyl-1,3-dioxolane-4-methanol
- Molecular formula
- C6H12O3
- Molecular weight
- 132.16
Names & synonyms
(+)-Solketal(S)-2,2-Dimethyl-1,3-dioxolane-4-methanol1,3-Dioxolane-4-methanol, 2,2-dimethyl-, (4S)-EINECS 244-910-8DTXSID701317976RefChem:390628DTXCID901747769244-910-822323-82-6(S)-(+)-2,2-Dimethyl-1,3-dioxolane-4-methanol[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methanols-glycerol acetonide
Show more names
1,3-Dioxolane-4-methanol, 2,2-dimethyl-, (S)-S-GlycerolS-DOXAZOSIN1,2-ISOPROPY(S)-(+)-SOLKETAL
(S)-(+)-1,2-IsopropylideneglycerolMFCD000632391,2-Isopropylidene-sn-glycerol(s)-(+)-2,3-o-isopropylideneglycerol(S)-(2,2-dimethyl-1,3-dioxolan-4-yl)methanol1,2-o-iso-propylidene-sn-glycerolD-(+)-Solketal(s)-(+)-1,2-o-isopropylideneglycerol
Database identifiers
- CAS
22323-82-6- PubChem CID
- 736057
- DTXSID
DTXSID701317976- EC Number
- 244-910-8
- Nikkaji
- J208.400G
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
- 9
- Formal charge
- 0
- Complexity
- 100
Physicochemical properties
- alpha
- 11 · 11 º (c=5, CH3OH)
- Boiling point
- 82 · 82-83 °C14 mm Hg(lit.)
- Density
- 1.07 g/mL · 1.07 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.434
- Flash point
- 176 °F · 176 °F
- storage temp.
- 2 · 2-8°C
- solubility
- Chloroform, Ethanol, Methanol
- form
- Liquid
- pka
- 14.2 · 14.20±0.10(Predicted)
- color
- Clear colorless to light yellow
- Specific Gravity
- 1.07 · 1.07
- optical activity
- 20 · [α]20/D +13.5°, neat
- Water Solubility
- miscible
- Merck
- 14 · 14,5213
- BRN
- 80118 · 80118
- Stability
- Stable. Flammable. Incompatible with oxidizing agents.
- InChI
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
- F
- 10
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- rtecs
- JI0400000
- hs_code
- 29329970
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 23-24/25
- Storage Class
- 10 - Combustible liquids
- Hazard statements
- H227
- Precautionary statements
- P210e-P280a-P370+P378a-P501a-P210-P280-P370+P378-P403+P235-P501
Chemistry & industry
Applications
Uses(S)-(+)-2,3-O-Isopropylideneglycerol acts as a MEK inhibitor with antitumor activity. It is also employed in the preparation of a chiral allylic triol through extrusion of sulfur dioxide from an alfa,beta-epoxysulfone.
General Description(S)-(+)-1,2-Isopropylideneglycerol is a key building block for the synthesis of glycerides and of phosphoglycerides.
Upstream & downstream products
Upstream raw materials
Related reactions
47 records
Compound notes
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