(+)-2,3-O-Isopropylidene-sn-glycerol (S)-(+)-(2,2-Dimethyl-1,3-dioxolan-4-yl)methanol (S)-(+)-1,2-Isopropylideneglycerol (S)-(+)-1,2-Isopropylideneglycerol, [(4S)-(+)-2,2-Dimethyl-1,3-dioxolan-4-yl]methanol, (S)-Solketal (S)-(+)-2,2-DiMethyl-1,3-Dioxalane-4-Methanol (S)-(+)-2,3-O-Isopropylideneglcerol (S)-(+)-2,3-O-Isopropylideneglycerol (S)-(2,2-dimethyl-1,3-dioxolan-4-yl)methanol (S)-2,2-Dimethyl-[1,3]-dioxolan-4-yl)methanol (S)-2,2-Dimethyl-1,3-dioxolane-4-methanol [(4S)-2,2-Dimethyl-1,3-dioxolan-4-yl]methanol 1,2-Isopropylidene-sn-glycerol 1,3-Dioxolane-4-methanol, 2,2-dimethyl-, (4S)- 1,3-Dioxolane-4-methanol, 2,2-dimethyl-, (S)- 4-hydroxymethyl-2,2-dimethyl-1,3-dioxolane D-(+)-1,2-ISOPROPYLIDENEGLYCEROL D-1,2-O-ISOPROPYLIDENE-SN-GLYCEROL EINECS 244-910-8 MFCD00063239 S-(+)-(2,2-Dimethyl-[1,3]dioxolan-4-yl)-methanol s-glycerol acetonide Solketal S-Solketal T5O COTJ B1 B1 D1Q &&S Form
2-8℃
The IUPAC name of (S)-(+)-2,2-Dimethyl-1,3-dioxolane-4-methanol is (2,2-dimethyl-1,3-dioxolan-4-yl)methanol. With the CAS registry number 22323-82-6, it is also named as 1,3-dioxolane-4-methanol, 2,2-dimethyl-. The product's categories are pharmacetical; chiral reagent; chiral building blocks; dioxanes & dioxolanes; glycidyl compounds, etc. (chiral); synthetic organic chemistry; heterocycles; miscellaneous. It is colorless oil which is stable, flammable and incompatible with oxidizing agents. In addition, people should not breathe vapour and avoid contact with skin and eyes.
The other characteristics of this product can be summarized as:?(1)ACD/LogP: 0.04; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.04; (4)ACD/LogD (pH 7.4): 0.04; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 25.04; (8)ACD/KOC (pH 7.4): 25.04; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.424; (13)Molar Refractivity: 32.596 cm3; (14)Molar Volume: 127.788 cm3; (15)Polarizability: 12.922×10-24 cm3; (16)Surface Tension: 36.207 dyne/cm; (17)Enthalpy of Vaporization: 49.429 kJ/mol; (18)Vapour Pressure: 0.164 mmHg at 25°C; (19)Rotatable Bond Count: 1; (20)Exact Mass: 132.078644; (21)MonoIsotopic Mass: 132.078644; (22)Topological Polar Surface Area: 38.7; (23)Heavy Atom Count: 9; (24)Complexity: 101.
Uses of (S)-(+)-2,2-Dimethyl-1,3-dioxolane-4-methanol: It is?a MEK inhibitor with antitumor activity. And it is also?used as glycerol phosphorylcholine intermediate. Inaddition, it?can be used as pharmaceutical intermediates to synthetize drugs such as L-hydroxy benzene piperidine, propranolol, strontium ranelate, chiral crown ether.
People can use the following data to convert to the molecule structure.
1. SMILES: CC1(OCC(O1)CO)C;
2. InChI: InChI=1/C6H12O3/c1-6(2)8-4-5(3-7)9-6/h5,7H,3-4H2,1-2H3.
Skin irritation, Category 2
Eye irritation, Category 2
Specific target organ toxicity \u2013 single exposure, Category 3
Pictogram(s) | |
---|---|
Signal word | Warning |
Hazard statement(s) | H315 Causes skin irritation H319 Causes serious eye irritation H335 May cause respiratory irritation |
Precautionary statement(s) | |
Prevention | P264 Wash ... thoroughly after handling. P280 Wear protective gloves/protective clothing/eye protection/face protection. P261 Avoid breathing dust/fume/gas/mist/vapours/spray. P271 Use only outdoors or in a well-ventilated area. |
Response | P302+P352 IF ON SKIN: Wash with plenty of water/... P321 Specific treatment (see ... on this label). P332+P313 If skin irritation occurs: Get medical advice/attention. P362+P364 Take off contaminated clothing and wash it before reuse. P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. P337+P313 If eye irritation persists: Get medical advice/attention. P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing. P312 Call a POISON CENTER/doctor/\u2026if you feel unwell. |
Storage | P403+P233 Store in a well-ventilated place. Keep container tightly closed. P405 Store locked up. |
Disposal | P501 Dispose of contents/container to ... |
none