ChemicalBook--->CAS DataBase List--->100-79-8

100-79-8

100-79-8 Structure

100-79-8 Structure
IdentificationMore
[Name]

Solketal
[CAS]

100-79-8
[Synonyms]

1,2-ISOPROPYLIDENEGLYCEROL
1,2-ISOPROPYLIDENE-RAC-GLYCEROL
1,2-O-ISOPROPYLIDENEGLYCEROL
(+/-)-2,2-DIMETHYL-1,3-DIOXOLANE-4-METHANOL
2,2-DIMETHYL-1,3-DIOXOLANE-4-METHANOL
(+/-)-2,2-DIMETHYL-4-HYDROXYMETHYL-1,3-DIOXOLANE
2,2-DIMETHYL-4-HYDROXYMETHYL-1,3-DIOXOLANE
2,3-O-ISOPROPYLIDENEGLYCEROL
ACETONE GLYCERINE KETAL
ACETONE KETAL OF GLYCERINE
DL-ALPHA,BETA-ISOPROPYLIDENEGLYCEROL
GLYCEROL DIMETHYLKETAL
ISOPROPYLIDENEGLYCEROL
ISOPROPYLIDENGLYCEROL
LABOTEST-BB LT00233172
(R,S)-ISOPROPYLIDENE GLYCEROL
SOLKETAL
SOLKETAL(R)
1,2-Isopropylideneglycerin
1,2-O,O-Isopropylideneglycerin
[EINECS(EC#)]

202-888-7
[Molecular Formula]

C6H12O3
[MDL Number]

MFCD00063238
[Molecular Weight]

132.16
[MOL File]

100-79-8.mol
Chemical PropertiesBack Directory
[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)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H319
[Precautionary statements ]

P264-P280-P305+P351+P338-P337+P313
[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
[REACH Registrations]

Active
[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)
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Glycerol-->Hydrogen cyanide
[Preparation Products]

Dropropizine-->3-Ethoxy-1,2-propanediol-->Benzyl glycidyl ether-->2,3-Dihydroxypropyl methacrylate-->1,3-Dioxan-5-ol, 2,2-dimethyl--->2,2-Dimethyl-1,3-dioxolan-4-ylmethyl p-toluenesulfonate-->4-[(2,3-Epoxypropoxy)methyl]-2,2-dimethyl-1,3-dioxolane-->(R)-4-Benzyloxymethyl-2,2-dimethyl-1,3-dioxolane-->SELACHYL ALCOHOL-->(2,2-Dimethyl-[1,3]-dioxolan-4-yl)-methylamine-->3-Bromo-1,2-propanediol-->4-(Chloromethyl)-2,2-dimethyl-1,3-dioxolane-->1,3-Dioxolane-4-carboxylicacid,2,2-dimethyl-,methylester(9CI)
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

1,2-Isopropylidene-rac-glycerol(100-79-8).msds
Hazard InformationBack Directory
[Chemical Properties]

clear colourless liquid
[Uses]

A MEK inhibitor
[Synthesis Reference(s)]

Tetrahedron, 52, p. 9387, 1996 DOI: 10.1016/0040-4020(96)00501-7
The Journal of Organic Chemistry, 53, p. 2859, 1988 DOI: 10.1021/jo00247a043
[General Description]

DL-1,2-Isopropylideneglycerol undergoes effective isopropylidenation and deprotection reaction catalyzed by phosphotungstic acid.
Spectrum DetailBack Directory
[Spectrum Detail]

Solketal(100-79-8)MS
Solketal(100-79-8)1HNMR
Solketal(100-79-8)IR1
Solketal(100-79-8)IR2
Solketal(100-79-8)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Solketal, 97%(100-79-8)
[Alfa Aesar]

Solketal, 97%(100-79-8)
[Sigma Aldrich]

100-79-8(sigmaaldrich)
[TCI AMERICA]

2,2-Dimethyl-1,3-dioxolane-4-methanol,>98.0%(GC)(100-79-8)
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