CAS No.16495-03-7,(S)-4-BENZYLOXYMETHYL-2,2-DIMETHYL-1,3-DIOXOLANE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	16495-03-7
Name:	(S)-4-BENZYLOXYMETHYL-2,2-DIMETHYL-1,3-DIOXOLANE
Article Data:	42

Formula:	C₁₃H₁₈O₃
Molecular Weight:	222.284
Synonyms:	1,3-Dioxolane,2,2-dimethyl-4-[(phenylmethoxy)methyl]-, (S)-;1,3-Dioxolane,4-[(benzyloxy)methyl]-2,2-dimethyl-, (S)- (8CI);1,2-Isopropylidene-3-O-benzyl-sn-glycerol;
Density:	1.039 g/cm³
Boiling Point:	300.3 °C at 760 mmHg
Flash Point:	100 °C
Appearance:	clear yellow oil
Safety:	23-24/25
PSA:	27.69000
LogP:	2.35470

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Specification

This chemical is called (4S)-4-[(Benzyloxy)methyl]-2,2-dimethyl-1,3-dioxolane, and its CAS registry number is 16495-03-7. With the molecular formula of C₁₃H₁₈O₃, its product categories are Chiral Reagents; Chiral Building Blocks; Dioxanes & Dioxolanes; Glycidyl Compounds, etc. (Chiral); Synthetic Organic Chemistry; Fatty Acid Derivatives & Lipids; Glycerols. Additionally, this chemical should be stored at the temperature of 2-8°C.

Other characteristics of the (4S)-4-[(Benzyloxy)methyl]-2,2-dimethyl-1,3-dioxolane can be summarised as followings: (1)ACD/LogP: 2.47; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.47; (4)ACD/LogD (pH 7.4): 2.47; (5)ACD/BCF (pH 5.5): 44.08; (6)ACD/BCF (pH 7.4): 44.08; (7)ACD/KOC (pH 5.5): 523.1; (8)ACD/KOC (pH 7.4): 523.1; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 27.69 Å²; (13)Index of Refraction: 1.49; (14)Molar Refractivity: 61.92 cm³; (15)Molar Volume: 213.8 cm³; (16)Polarizability: 24.54×10^-24cm³; (17)Surface Tension: 37.2 dyne/cm; (18)Density: 1.039 g/cm³; (19)Flash Point: 100 °C; (20)Enthalpy of Vaporization: 51.88 kJ/mol; (21)Boiling Point: 300.3 °C at 760 mmHg; (22)Vapour Pressure: 0.00202 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following: Do not breathe vapour. Avoid contacting with skin and eyes.

You can still convert the following datas into molecular structure:
1.SMILES: O(Cc1ccccc1)C[C@@H]2OC(OC2)(C)C
2.InChI: InChI=1/C13H18O3/c1-13(2)15-10-12(16-13)9-14-8-11-6-4-3-5-7-11/h3-7,12H,8-10H2,1-2H3/t12-/m0/s1
3.InChIKey: DBFDSKSLTCMIPB-LBPRGKRZBI