γ-butyrolactone

γ-butyrolactone
Compound Structure:
Synonyms: gamma-Butyrolactone; 96-48-0 ;dihydrofuran-2(3H)-one ;BUTYROLACTONE ;4-Butyrolactone
Compound ID: NMPC-1662
PubChem ID:

7302

Molecular Formula: C4H6O2
Canonical SMILES: C1CC(=O)OC1
InChIKey: YEJRWHAVMIAJKC-UHFFFAOYSA-N
About the compound:

Gamma-butyrolactone is a butan-4-olide that is tetrahydrofuran substituted by an oxo group at position 2. It has a role as a neurotoxin and a metabolite. One of the furans with a carbonyl thereby forming a cyclic lactone. It is an endogenous compound made from gamma-aminobutyrate and is the precursor of gamma-hydroxybutyrate. It is also used as a pharmacological agent and solvent

GHS Hazard Statements

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

H315 (12.18%): Causes skin irritation [Warning Skin corrosion/irritation]

H318 (69.26%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

H319 (30.93%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

H331 (11.94%): Toxic if inhaled [Danger Acute toxicity, inhalation]

H336 (69.2%): May cause drowsiness or dizziness [Warning Specific target organ toxicity, single exposure; Narcotic effects]

First Aid

Eyes:

1. Check for and remove contact lenses.

2. Flush eyes with water or saline for 20-30 minutes while calling a hospital or poison control center.

3. Do not apply any ointments, oils, or medications unless instructed by a physician.

4. Transport the victim to a hospital immediately, even if no symptoms appear.

Skin:

1. Flood affected skin with water and remove contaminated clothing.

2. Wash skin thoroughly with soap and water.

3. If redness or irritation occurs, call a physician and prepare to transport the victim to a hospital.

Inhalation:

1. Leave the contaminated area and breathe fresh air.

2. If symptoms develop (wheezing, coughing, shortness of breath, burning in the mouth, throat, or chest), call a physician and prepare for hospital transport.

3. Ensure rescuers use proper respiratory protection; SCBA is preferred.

Ingestion:

1. Do not induce vomiting.

2. If the victim is conscious and not convulsing, give 1-2 glasses of water and call a hospital or poison control center immediately.

3. If the victim is convulsing or unconscious, do not give anything by mouth, ensure the airway is open, and lay the victim on their side with the head lower than the body.

4. Transport the victim to a hospital immediately (NTP, 1992).

National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina.

Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

86.09 g/mol

XLogP3

-0.6

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

2

Rotatable Bond Count

0

Exact Mass

86.036779430 g/mol

Monoisotopic Mass

86.036779430 g/mol

Topological Polar Surface Area

26.3Ų

Heavy Atom Count

6

Formal Charge

0

Complexity

67.9

Isotope Atom Count

0

Defined Atom Stereocenter Count

0

Undefined Atom Stereocenter Count

0

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Physical Description

colourless to slightly yellow liquid with a faint, sweet, caramel-like odour

Boiling Point

399 to 401 °F at 760 mmHg (NTP, 1992)

Melting Point

-43.53 °C

Density

1.120-1.130

Solubility 

Miscible with water. Soluble in methanol, ethanol, acetone, ether, benzene.

Vapor Pressure

0.45 [mmHg]

Source:PubChem

Source Species: Senna tora
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