96-48-0

 IARC Cancer Review: Group 3 IMEMDT    IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 7 (1987),p. 56.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) ; Animal No Evidence IMEMDT    IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 11 (1976),p. 231.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) . EPA Genetic Toxicology Program. Reported in EPA TSCA Inventory.

The gamma-Butyrolactone is an organic compound with the formula C₄H₆O₂. The IUPAC name of this chemical is oxolan-2-one. With the CAS registry number 96-48-0, it is also named as 1-Oxacyclopentan-2-one. The product's category is Pharmaceutical Intermediates. Besides, gamma-Butyrolactone (γ-butyrolactone or GBL) is a hygroscopic colorless oily liquid with a weak characteristic odor and is soluble in water, which should be stored in a cool and ventilated place.

Physical properties about gamma-Butyrolactone are: (1)ACD/LogP: -0.76; (2)ACD/LogD (pH 5.5): -0.76; (3)ACD/LogD (pH 7.4): -0.76; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 9.15; (7)ACD/KOC (pH 7.4): 9.15; (8)#H bond acceptors: 2; (9)Polar Surface Area: 26.3 Å²; (10)Index of Refraction: 1.442; (11)Molar Refractivity: 20.18 cm³; (12)Molar Volume: 76.2 cm³; (13)Polarizability: 8×10^-24cm³; (14)Surface Tension: 35.4 dyne/cm; (15)Density: 1.128 g/cm³; (16)Flash Point: 80.9 °C; (17)Enthalpy of Vaporization: 44.02 kJ/mol; (18)Boiling Point: 204 °C at 760 mmHg; (19)Vapour Pressure: 0.27 mmHg at 25°C.

Preparation of gamma-Butyrolactone: gamma-Butyrolactone can be prepared by gamma-hydroxybutyric acid (GHB) by removal of water or by distillation from such a mixture. It may also be obtained via oxidation of tetrahydrofuran (THF). One such process, which affords GBL in yields of up to 80%, utilises bromine generated in situ from an aqueous solution of sodium bromate and potassium hydrogen sulfate. Another process can proceed by using commercially-available calcium hypochlorite in the presence of activating acetic acid and an appropriate solvent such as acetonitrile.

Uses of gamma-Butyrolactone: GHB (gamma hydroxybutyrate) and GBL (gamma butyrolactone) are substances which are often used as recreational drugs. GHB has two effects, at low doses it has a euphoric effect (which is why it is sometimes referred to as liquid ecstasy). At higher doses it acts like a sedative and can make the user unconscious very quickly.

When you are using this chemical, please be cautious about it as the following: It is harmful if swallowed. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical is irritating to eyes. When you are using it, wear suitable protective clothing and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1OCCC1
(2)InChI: InChI=1/C4H6O2/c5-4-2-1-3-6-4/h1-3H2
(3)InChIKey: YEJRWHAVMIAJKC-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C4H6O2/c5-4-2-1-3-6-4/h1-3H2
(5)Std. InChIKey: YEJRWHAVMIAJKC-UHFFFAOYSA-N

The toxicity data is as follows: