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100-79-8

Name Solketal
CAS 100-79-8
EINECS(EC#) 202-888-7
Molecular Formula C6H12O3
MDL Number MFCD00063238
Molecular Weight 132.16
MOL File 100-79-8.mol
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Chemical Properties

Appearance clear colourless liquid
Melting point  -27℃
Boiling point  189-191 °C
density  1.066 g/mL at 20 °C(lit.)
vapor pressure  34Pa at 20℃
refractive index  n20/D 1.434
Fp  176 °F
storage temp.  2-8°C
solubility  172g/l soluble
form  Liquid
pka 14.20±0.10(Predicted)
color  Clear colorless
PH 4.0-7.5 (H2O)
Optical Rotation 4.1°(C=1.00 g/100mL, ETOH, 20°C, 589nm)
Water Solubility  miscible
Merck  14,5213
BRN  104465
Cosmetics Ingredients Functions HAIR CONDITIONING
InChI 1S/C6H12O3/c1-6(2)8-4-5(3-7)9-6/h5,7H,3-4H2,1-2H3
InChIKey RNVYQYLELCKWAN-UHFFFAOYSA-N
SMILES CC1(C)OCC(CO)O1
LogP 0.3 at 20℃
CAS DataBase Reference 100-79-8(CAS DataBase Reference)
NIST Chemistry Reference 1,3-Dioxolane-4-methanol, 2,2-dimethyl-(100-79-8)
EPA Substance Registry System 100-79-8(EPA Substance)
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Safety Data

Hazard Codes  Xi
Risk Statements 
R36/37/38:Irritating to eyes, respiratory system and skin .
Safety Statements 
S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) .
S24/25:Avoid contact with skin and eyes .
S36:Wear suitable protective clothing .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
WGK Germany  2
RTECS  JI0400000
F  10
TSCA  Yes
HS Code  29329970
Storage Class 10 - Combustible liquids
Hazard Classifications Eye Irrit. 2
Repr. 2
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.
Toxicity
LD50 in rats (g/kg): 7 orally; 3 i.p. (Perez)

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