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(2,2-dimethyl-1,3-dioxolan-4-yl)methanol
Dangerous GoodsCAS number：100-79-8 molecular formula：C6H12O3
overview
Specs
| Chinese alias | 丙酮甘油缩酮 | ||
| English alias | (2,2-Dimethyl-1,3-dioxolan-4-yl)methanol | 1,2-Isopropylidene-rac-glycerol | Isopropylidene glycerol | Solketal | 2,2-Dimethyl-1,3-dioxolane-4-methanol | 1,2-Isopropylideneglycerol | Glycerolacetone | DL-1,2-Isopropylideneglycerol | Glycerol,2-O-isopropyl | ||
| CAS number | 100-79-8 | molecular formula | C6H12O3 |
| molecular weight | 132.16 | Exact mass | ≥98% |
| PSA | 38.7 | logp | -0.2 |
numbering system
| CAS | 100-79-8 |
| UNII | 3XK098O8ZW |
| HMDB ID | HMDB0258367 |
| Wikidata | Q2968854 |
| ChEMBL ID | CHEMBL3342436 |
| Wikipedia | Solketal |
| NSC Number | NSC Number: NSC59720 |
| ICSC Number | 0790 |
| PubChem CID | 7528 |
| Deprecated CAS | 36543-79-0 |
| Nikkaji Number | J20.693H |
| DSSTox Substance ID | DTXSID9021845 |
| Metabolomics Workbench ID | 131398 |
| European Community (EC) Number | 202-888-7 |
| PubChem Reference Collection SID | 505436963 |
| MEP ID | _25Q1B42VD |
physicochemical properties
| XLogP3 | XLogP3-AA: -0.2 |
| Density | 1.065 @25 °C |
| Solvents | Solvents -> Other Solvents |
| Complexity | 100 |
| Exact Mass | 132.078644241 |
| Fragrances | Fragrance Ingredient (1,3-Dioxolane-4-methanol, 2,2-dimethyl) -> IFRA transparency List |
| Solubility | Solubility in water: miscible |
| Flash Point | 80 °C c.c. |
| Animal Drugs | Pharmaceuticals -> UK Veterinary Medicines Directorate List |
| Boiling Point | 75 °C @760 [mm Hg] |
| Formal Charge | 0 |
| Melting Point | -26.4 °C |
| Vapor Density | Relative vapor density (air = 1): 4.6 |
| Vapor Pressure | 70 [mm Hg] @20 °C |
| Chemical Classes | Industrial compound |
| Heavy Atom Count | 9 |
| Molecular Weight | 132.16 |
| Monoisotopic Mass | 132.078644241 |
| Isotope Atom Count | 0 |
| Physical Description | ODOURLESS OILY COLOURLESS LIQUID. |
| Rotatable Bond Count | 1 |
| Food Contact Substances | FCS -> FDA Inventory of Effective Food Contact Substance (FCS) Notifications |
| Hydrogen Bond Donor Count | 1 |
| Covalently-Bonded Unit Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Topological Polar Surface Area | 38.7 Ų |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
Safety information
Fire Hazards：
Combustible. Above 80 °C explosive vapour/air mixtures may be formed.
Safe Storage：
Separated from strong oxidants. Ventilation along the floor.
Fire Fighting：
Use water spray, alcohol-resistant foam, carbon dioxide.
Eye Prevention：
Wear safety spectacles.
Adverse Effects：
Neurotoxin - Acute solvent syndrome
Exposure Routes：
The substance can be absorbed into the body by inhalation of its aerosol.
Fire Prevention：
NO open flames. Above 80 °C use a closed system and ventilation.
Hazards Summary：
An 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.
Inhalation Risk：
No indication can be given about the rate at which a harmful concentration of this substance in the air is reached on evaporation at 20 °C.
Skin Prevention：
Protective gloves.
Spillage Disposal：
Collect leaking and spilled liquid in sealable containers as far as possible. Wash away remainder with plenty of water.
EPA Safer Chemical：
EPA Safer Chemical: Green half-circle - The chemical is expected to be of low concern based on experimental and modeled data. Additional data would strengthen EPA's confidence in the chemical's safer status.
First Aid Measures：
Ingestion First Aid: Rinse mouth. Do NOT induce vomiting.
Signs and Symptoms：
Eye Exposure: Redness.
Exposure Prevention：
PREVENT GENERATION OF MISTS!
Ingestion Prevention：
Do not eat, drink, or smoke during work.
Inhalation Prevention：
Use ventilation.
Regulatory Information：
New Zealand EPA Inventory of Chemical Status: Isopropylidene glycerol: Does not have an individual approval but may be used under an appropriate group standard
ICSC Environmental Data：
Environmental effects from the substance have not been investigated adequately.
Hazard Classes and Categories：
Aquatic Chronic 2 (14.7%)
Effects of Short Term Exposure：
The substance is irritating to the eyes.
Protective Action Criteria (PAC)：
PAC-3: 1400 [mg/m3]
Production methods and uses
purpose
Uses：
Sources/Uses: Used as solvent, plasticizer, and pharmaceutical aid (solubilizing and suspending agent)
Consumer Uses：
Solvent
Industry Uses：
Monomers
Household Products：
Household & Commercial/Institutional Products: • Inside the Home
Use Classification：
Fragrance Ingredients
General Manufacturing Information：
Industry Processing Sectors: Plastics Material and Resin Manufacturing
Related
upstream information
No upstream information yet
downstream information
No downstream information yet
MSDS
Found 1 shareMSDS
100-79-8 | DL-1,2-Isopropylideneglycerol.pdf
