1,3-Dioxolane, 2,2-dimethyl-4-[(phenylmethoxy)methyl]-, (4R)- supplier

Name
(R)-4-BENZYLOXYMETHYL-2,2-DIMETHYL-1,3-DIOXOLANE
EINECS
CAS No. 14347-83-2
Article Data24
CAS DataBase
Density 1.039 g/cm³
Solubility
Melting Point
Formula C₁₃H₁₈O₃
Boiling Point 300.306 °C at 760 mmHg
Molecular Weight 222.284
Flash Point 99.967 °C
Transport Information
Appearance
Safety 23-24/25
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1,3-Dioxolane,2,2-dimethyl-4-[(phenylmethoxy)methyl]-, (R)-;1,3-Dioxolane,4-[(benzyloxy)methyl]-2,2-dimethyl-, D-(+)- (8CI);1-O-Benzyl-2,3-O-isopropylidene-sn-glycerol;D-1-Benzyl-2,3-isopropylideneglycerol;
PSA 27.69000
LogP 2.35470

1,3-Dioxolane, 2,2-dimethyl-4-[(phenylmethoxy)methyl]-, (4R)- Specification

This chemical is called 1,3-Dioxolane, 2,2-dimethyl-4-[(phenylmethoxy)methyl]-, (4R)-, and its systematic name is (4R)-4-[(benzyloxy)methyl]-2,2-dimethyl-1,3-dioxolane. With the molecular formula of C₁₃H₁₈O₃, its molecular weight is 222.28. The CAS registry number of this chemical is 14347-83-2. Additionally, its product categories are Chiral Building Blocks; Dioxanes & Dioxolanes; Dioxolanes; Glycidyl Compounds, etc. (Chiral); Synthetic Organic Chemistry.

Other characteristics of the 1,3-Dioxolane, 2,2-dimethyl-4-[(phenylmethoxy)methyl]-, (4R)- can be summarised as followings: (1)ACD/LogP: 2.26; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 44; (6)ACD/BCF (pH 7.4): 44; (7)ACD/KOC (pH 5.5): 523; (8)ACD/KOC (pH 7.4): 523; (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: 1.491; (14)Molar Refractivity: 61.926 cm³; (15)Molar Volume: 213.853 cm³; (16)Polarizability: 24.55×10^-24cm³; (17)Surface Tension: 37.253 dyne/cm; (18)Density: 1.039 g/cm³; (19)Flash Point: 99.967 °C; (20)Enthalpy of Vaporization: 51.876 kJ/mol; (21)Boiling Point: 300.306 °C at 760 mmHg; (22)Vapour Pressure: 0.002 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: CC2(C)O[C@H](COCc1ccccc1)CO2
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-/m1/s1
3.InChIKey: DBFDSKSLTCMIPB-GFCCVEGCBS

Product Name

(R)-4-BENZYLOXYMETHYL-2,2-DIMETHYL-1,3-DIOXOLANE

1,3-Dioxolane, 2,2-dimethyl-4-[(phenylmethoxy)methyl]-, (4R)- Specification

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