1,3-Dioxolane-4-methanol

The 1,3-Dioxolane-4-methanol, with the CAS registry number 5464-28-8, is also known as 4-(Hydroxymethyl)-1,3-dioxolane. Its EINECS number is 225-248-9. This chemical's molecular formula is C₄H₈O₃ and molecular weight is 104.10. What's more, its systematic name is 1,3-Dioxolan-4-ylmethanol. Its classification code is Reproductive Effect. It is stable at common pressure and temperature, and it should be sealed and stored in a cool, ventilated and dry place. Moreover, it should be protected from light. It is used as drug solvent. It can be prepared by glycerin and formaldehyde.

Physical properties of 1,3-Dioxolane-4-methanol are: (1)ACD/LogP: -0.876; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.88; (4)ACD/LogD (pH 7.4): -0.88; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 7.95 ; (8) ACD/KOC (pH 7.4): 7.95; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 38.69 Å²; (13)Index of Refraction: 1.434; (14)Molar Refractivity: 23.274 cm³; (15)Molar Volume: 89.374 cm³; (16)Polarizability: 9.227×10^-24cm³; (17)Surface Tension: 44.1790008544922 dyne/cm; (18)Density: 1.165 g/cm³; (19)Flash Point: 76.105 °C; (20)Enthalpy of Vaporization: 49.888 kJ/mol; (21)Boiling Point: 192.499 °C at 760 mmHg; (22)Vapour Pressure: 0.129999995231628 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
You should not breathe gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer). When using it, you must avoid contact with eyes.

You can still convert the following datas into molecular structure:
(1)SMILES: OCC1OCOC1
(2)Std. InChI: InChI=1S/C4H8O3/c5-1-4-2-6-3-7-4/h4-5H,1-3H2
(3)Std. InChIKey: BOHGAOWOIJMTPZ-UHFFFAOYSA-N

The toxicity data is as follows: