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453-20-3

Basic Information
CAS No.: 453-20-3
Name: 3-Hydroxytetrahydrofuran
Article Data: 60
Molecular Structure:
Molecular Structure of 453-20-3 (3-Hydroxytetrahydrofuran)
Formula: C4H8O2
Molecular Weight: 88.1063
Synonyms: (RS)-3-Hydroxytetrahydrofuran;3-Hydroxyoxolane;3-Hydroxytetrahydrofuran;3-Oxacyclopentanol;NSC 71875;Riftal;Tetrahydro-3-furanol;
EINECS: 207-219-2
Density: 1.148 g/cm3
Melting Point: 25°C
Boiling Point: 181 °C at 760 mmHg
Flash Point: 81.1 °C
Solubility: 500g/L(room temperature)
Appearance: light yellow liquid
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36-37/39
PSA: 29.46000
LogP: -0.23240
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Consensus Reports

Reported in EPA TSCA Inventory.

Specification

1.Introduction of 3-Hydroxytetrahydrofuran

The IUPAC name of 3-Hydroxytetrahydrofuran is oxolan-3-ol. With the CAS registry number 453-20-3, it is also named as 3-Hydroxyoxolane. The product's categories are Alcohols and Derivatives; Heterocycles; Furans; Building Blocks; Heterocyclic Building Blocks, and the other registry number is 84921-89-1. Besides, it is light yellow liquid, which should be stored in sealed, ventilated, dry place away from other oxides. This chemical is stable and incompatible with strong oxidizing agents, acid chlorides, acid anhydrides. In addition, its molecular formula is C4H8O2 and molecular weight is 88.11.

2.The properties of 3-Hydroxytetrahydrofuran

(1)EINECS: 207-219-2; (2)ACD/LogP: -0.83; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): -0.83; (5)ACD/LogD (pH 7.4): -0.83; (6)ACD/BCF (pH 5.5): 1; (7)ACD/BCF (pH 7.4): 1; (8)ACD/KOC (pH 5.5): 8.45; (9)ACD/KOC (pH 7.4): 8.45; (10)#H bond acceptors: 2; (11)#H bond donors: 1; (12)#Freely Rotating Bonds: 1; (13)Index of Refraction: 1.475; (14)Molar Refractivity: 21.64 cm3; (15)Molar Volume: 76.7 cm3; (16)Surface Tension: 38.7 dyne/cm; (17)Density: 1.148 g/cm3; (18)Flash Point: 81.1 °C; (19)Enthalpy of Vaporization: 48.57 kJ/mol; (20)Boiling Point: 181 °C at 760 mmHg; (21)Vapour Pressure: 0.255 mmHg at 25 °C.

3.Structure descriptors of 3-Hydroxytetrahydrofuran

(1)SMILES: OC1CCOC1
(2)InChI: InChI=1/C4H8O2/c5-4-1-2-6-3-4/h4-5H,1-3H2
(3)InChIKey: XDPCNPCKDGQBAN-UHFFFAOYAL


4.Preparation of 3-Hydroxytetrahydrofuran

This reaction needs aq. H2O2 and Titanium silicate-1 at temperature of 24.9 °C. The reaction time is 18 hours. The yield is 82 %.



5.Uses of 3-Hydroxytetrahydrofuran

The 3-Hydroxytetrahydrofuran  can be used in organic synthesis. Similarly, it can react with Benzoyl chloride to get 3-Benzoyloxytetrahydrofuran.



This reaction needs Pyridine at temperature of 10 °C for 10 hours. The yield is 82 %.

6.Safety information of 3-Hydroxytetrahydrofuran

The 3-Hydroxytetrahydrofuran is irritating to eyes, respiratory system and skin. In case of contact with eyes, please rinse immediately with plenty of water and seek medical advice. And you should wear suitable protective clothing, gloves and eye/face protection.

7.The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 3850mg/kg (3850mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: ATAXIA
Journal of Pharmacy and Pharmacology. Vol. 22, Pg. 694, 1970.