Solketal
Basic information
- CAS
100-79-8- Standard SMILES
CC1(C)OCC(CO)O1- InChIKey
RNVYQYLELCKWAN-UHFFFAOYSA-N- Molecular formula
- C6H12O3
- Average molar mass
- 132.16 g/mol
- Monoisotopic mass
- 132.07864424
Overview
RN given refers to parent cpd; structure
Names & identifiers
- Preferred name
- Solketal
- IUPAC
- (2,2-dimethyl-1,3-dioxolan-4-yl)methanol
- English name
- 2,2-Dimethyl-1,3-dioxolane-4-methanol
- Molecular formula
- C6H12O3
- Molecular weight
- 132.16
Names & synonyms
Solketal100-79-82,2-Dimethyl-1,3-dioxolane-4-methanolGlycerolacetoneGlycerol dimethylketalDioxolanIsopropylidene glycerolGlycerol acetonide2,3-Isopropylideneglycerol1,3-Dioxolane-4-methanol, 2,2-dimethyl-Acetone monoglycerol ketalAcetone glycerol
Show more names
ISOPROPYLIDENEGLYCEROLisopropylideneglycerolacetonideGIEAUGEOISOPROPYLIDENGLYCEROLAcetone glycerol ketal
Glycerinisopropylidene ether2,3-O-Isopropylideneglycerol2,2-Dimethyl-4-hydroxymethyl-1,3-dioxolaneAcetone, cyclic (hydroxymethyl)ethylene acetal3XK098O8ZWNSC-59720DTXSID90218452,3-Isopropylidene-sn-glycerol
Database identifiers
- CAS
100-79-8- PubChem CID
- 7528
- DTXSID
DTXSID9021845- ChEMBL
CHEMBL3342436- UNII
- 3XK098O8ZW
- EC Number
- 202-888-7
- Nikkaji
- J20.693H
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
Experimental & physicochemical properties
Chemical ClassesIndustrial compound
SolventsSolvents -> Other Solvents
FragrancesFragrance Ingredient (1,3-Dioxolane-4-methanol, 2,2-dimethyl) -> IFRA transparency List
Density
Relative density (water = 1): 1.06
1.065 @25 °C
SolubilitySolubility in water: miscible
Flash Point80 °C c.c.
Animal DrugsPharmaceuticals -> UK Veterinary Medicines Directorate List
Boiling Point
188-189 °C
75 °C @760 [mm Hg]
Melting Point-26.4 °C
Vapor DensityRelative vapor density (air = 1): 4.6
Vapor Pressure
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 2% (7 of 353) of reports.
Warning
H315 (14.7%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P273, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 353 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: 1,3-Dioxolane-4-methanol, 2,2-dimethyl-
1,3-Dioxolane-4-methanol, 2,2-dimethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,3-Dioxolane-4-methanol, 2,2-dimethyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 24-04-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/12258
Isopropylidene glycerol: Does not have an individual approval but may be used under an appropriate group standard
Fire HazardsCombustible. Above 80 °C explosive vapour/air mixtures may be formed.
Hazards SummaryAn eye irritant; Causes change in heart rate and blood pressure in intravenous lethal-dose studies of rats and rabbits; [RTECS] An eye irritant; [ICSC] May cause irritation; [Alfa Aesar MSDS] See 1,3-Dioxolane.
EPA Safer ChemicalChemical: 2,2-dimethyl-1,3-Dioxolane-4-methanol
Chemical DangersReacts with oxidants.
Chemistry & industry
Uses & manufacturing
UsesUsed as solvent, plasticizer, and pharmaceutical aid (solubilizing and suspending agent); [Merck Index]
U.S. Production2023: 25,000,000 - <40,000,000 lb
Consumer UsesFragrance
Industry UsesFragrance
Household ProductsInformation on 27 consumer products that contain 2,2-Dimethyl-1,3-dioxolane-4-methanol in the following categories is provided:
Use Classification
EPA Safer Chemical Functional Use Classes -> Solvents
Safer Chemical Classes -> Green half-circle - The chemical is expected to be of low concern
Fragrance Ingredients
General Manufacturing Information
Plastics Material and Resin Manufacturing
1,3-Dioxolane-4-methanol, 2,2-dimethyl-: ACTIVE
Applications
UsesSolketal is useful for synthesis of mono-, di- and triglycerides. It is used as the starting reagent for synthesis of tulipaline derivatives. It acts as a fuel additive in gasoline. It is an inhibitor of Methyl ethyl ketone .
UsesDL-1,2-Isopropylideneglycerol was used as the starting reagent for synthesis of tulipaline derivatives.
UsesA MEK inhibitor
General DescriptionDL-1,2-Isopropylideneglycerol undergoes effective isopropylidenation and deprotection reaction catalyzed by phosphotungstic acid.
Upstream & downstream products
Related reactions
239 records
Compound notes
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