Solketal supplier | CasNO.100-79-8

Name
Solketal
EINECS 202-888-7
CAS No. 100-79-8
Article Data198
CAS DataBase
Density 1.034 g/cm³
Solubility miscible with water
Melting Point -27℃
Formula C₆H₁₂O₃
Boiling Point 188.499 °C at 760 mmHg
Molecular Weight 132.159
Flash Point 80 °C
Transport Information
Appearance clear colourless liquid
Safety 23-24/25-36-26
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms (4RS)-2,2-Dimethyl-1,3-dioxolane-4-methanol;(RS)-Solketal;1,2-Isopropylideneglycerin;1,2-Isopropylideneglycerol;1,2-O,O-Isopropylideneglycerin;1,2-O-Isopropylideneglycerol;2,2-Dimethyl-1,3-dioxolan-4-methanol;2,2-Dimethyl-1,3-dioxolan-4-ylmethanol;2,2-Dimethyl-1,3-dioxolane-4-methanol;2,2-Dimethyl-1,3-dioxolane-5-methanol;2,2-Dimethyl-4-hydroxymethyl-1,3-dioxolan;2,2-Dimethyl-4-hydroxymethyl-1,3-dioxolane;2,2-Dimethyl-4-hydroxymethyldioxolane;2,2-Dimethyl-5-hydroxymethyl-1,3-dioxolane;2,3-(Isopropylidenedioxy)propanol;2,3-Isopropylideneglycerol;2,3-O-Isopropylideneglycerol;2-Dimethyl-4-oxymethyl-1,3-dioxolane;4-(Hydroxymethyl)-2,2-dimethyl-1,3-dioxolane;Acetone glycerin ketal;Acetoneglyceryl acetal;Acetone monoglycerol ketal;DL-Isopropylideneglycerol;GIE;Glycerin acetone ketal;Glycerin isopropylidene ether;Glycerol acetonide;Glycerol dimethylketal;Glycerol a,b-isopropylidene ether;Glycerolacetone;Isopropylidene glycerol;NSC 59720;Racemic solketal;a,b-Isopropylideneglycerol;
PSA 38.69000
LogP 0.13020

Solketal Chemical Properties

Molecular Structure of Dioxolan (CAS NO.100-79-8):

IUPAC Name: (2,2-Dimethyl-1,3-dioxolan-4-yl)methanol
Canonical SMILES: CC1(OCC(O1)CO)C
InChI: InChI=1S/C6H12O3/c1-6(2)8-4-5(3-7)9-6/h5,7H,3-4H2,1-2H3
InChIKey: RNVYQYLELCKWAN-UHFFFAOYSA-N
Molecular Weight: 132.15768 [g/mol]
Molecular Formula: C₆H₁₂O₃
XLogP3-AA: -0.2
H-Bond Donor: 1
H-Bond Acceptor: 3
EINECS: 202-888-7
storage temp.: 2-8°C
Index of Refraction: 1.424
Molar Refractivity: 32.596 cm³
Molar Volume: 127.788 cm³
Surface Tension: 36.207 dyne/cm
Density: 1.034 g/cm³
Flash Point: 80 °C
Enthalpy of Vaporization: 49.429 kJ/mol
Boiling Point: 188.499 °C at 760 mmHg
Vapour Pressure: 0.164 mmHg at 25 °C
Water Solubility: miscible
Appearance: clear colourless liquid
Classification Code: Drug / Therapeutic Agent; Mutation data; Skin / Eye Irritant

Solketal Uses

Dioxolan (CAS NO.100-79-8) has been used extensively in the synthesis of mono-, di- and triglycerides by ester bond formation.

Solketal Toxicity Data With Reference

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
rabbit	LDLo	intravenous	8530ug/kg (8.53mg/kg)	CARDIAC: CHANGE IN RATE VASCULAR: BP ELEVATION NOT CHARACTERIZED IN AUTONOMIC SECTION VASCULAR: BP LOWERING NOT CHARACTERIZED IN AUTONOMIC SECTION	Drugs under Experimental and Clinical Research. Vol. 9, Pg. 895, 1983.
rat	LD50	intraperitoneal	3gm/kg (3000mg/kg)		"Merck Index; an Encyclopedia of Chemicals, Drugs, and Biologicals", 11th ed., Rahway, NJ 07065, Merck & Co., Inc. 1989Vol. 11, Pg. 820, 1989.
rat	LD50	oral	7gm/kg (7000mg/kg)		"Merck Index; an Encyclopedia of Chemicals, Drugs, and Biologicals", 11th ed., Rahway, NJ 07065, Merck & Co., Inc. 1989Vol. 11, Pg. 820, 1989.
rat	LDLo	intravenous	3740ug/kg (3.74mg/kg)	CARDIAC: CHANGE IN RATE VASCULAR: BP ELEVATION NOT CHARACTERIZED IN AUTONOMIC SECTION VASCULAR: BP LOWERING NOT CHARACTERIZED IN AUTONOMIC SECTION	Drugs under Experimental and Clinical Research. Vol. 9, Pg. 895, 1983.

Solketal Consensus Reports

Reported in EPA TSCA Inventory.

Solketal Safety Profile

A poison by intravenous route. An eye irritant. Mutation data reported. A very dangerous fire hazard when exposed to heat or flame; can react vigorously with oxidizing materials. To fight fire, use alcohol foam, CO₂, dry chemical. When heated to decomposition it emits acrid smoke and fumes.
Safety Information of Dioxolan (CAS NO.100-79-8):
Hazard Codes: Irritant Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 23-24/25-36-26
S23:Do not breathe vapour.
S24/25:Avoid contact with skin and eyes.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
WGK Germany: 2
RTECS: JI0400000
F: 10

Solketal Specification

Dioxolan (CAS NO.100-79-8), its Synonyms are 1,2-Isopropylideneglycerin ; 1,2-Isopropylideneglycerol ; 1,2-O,O-Isopropylideneglycerin ; 1,2-O-Isopropylideneglycerol ; 2,2-Dimethyl-1,3-dioxolan-4-yl methanol ; 2,2-Dimethyl-4-(hydroxymethyl)-1,3-dioxacyclopentane ; 2,2-Dimethyl-4-hydroxymethyldioxolane ; 2,2-Dimethyl-4-oxymethyl-1,3-dioxolane ; 2,2-Dimethyl-5-hydroxymethyl-1,3-dioxolane ; 2,3-Isopropylideneglycerol ; 4-Hydroxymethyl-2,2-dimethyl-1,3-dioxolane ; Acetone, cyclic (hydroxymethyl)ethylene acetal ; Solketal ; alpha,beta-Isopropylideneglycerol ; Glycerol dimethylketal ; Glycerol, 1,2-O-isopropylidene ; Glycerolacetone .

Product Name

Solketal