2,3-Dihydroxypropyl acetate

2,3-Dihydroxypropyl acetate
Compound Structure:
Synonyms: 1-Monoacetin, Acetin, Glycerol monoacetate; Glyceryl monoacetate; Acetoglyceride; Glyceryl acetate; Glycerol 1-monoacetate; Monoacetyl glycerine; Monacetin; 1,2,3-Propanetriol; 1-acetate; Glyceryl 1-monoacetate; Acetin, mono-
Compound ID: NMPC-1086
PubChem ID:

33510
Molecular Formula: C5H10O4
Canonical SMILES: CC(=O)OCC(CO)O
InChIKey: KMZHZAAOEWVPSE-UHFFFAOYSA-N
About the compound:

GHS Hazard Statements

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

First Aid

If someone is exposed to a harmful substance, start by checking and removing their contact lenses if they have any, then rinse their eyes with water or a saline solution for 20 to 30 minutes. During this, call for medical help but avoid applying any substances to the eyes without medical advice. Regardless of symptoms, the individual should be taken to the hospital immediately after rinsing.

For skin exposure, quickly rinse the skin with water, remove any clothes that have come into contact with the substance, and wash the skin with soap. If any irritation appears, seek medical help immediately.

If the substance has been inhaled, the person should move to an area with fresh air right away. If they show symptoms like difficulty breathing, get medical help promptly. Rescuers should wear appropriate respiratory protection, preferably an SCBA.

For ingestion, do not try to induce vomiting. If the person is awake and not having seizures, give them water to help dilute the substance and call for medical assistance immediately. If the person is unconscious or having seizures, make sure they are laying on their side with their head lower than their body to keep their airway open and get them to the hospital immediately.

In all cases, the key steps are to prevent further exposure, start first aid measures like rinsing or dilution with water, and seek medical help immediately (NTP, 1992).
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

134.13 g/mol

XLogP3

-1

Hydrogen Bond Donor Count

2

Hydrogen Bond Acceptor Count

4

Rotatable Bond Count

4

Exact Mass

134.05790880 g/mol

Monoisotopic Mass

134.05790880 g/mol

Topological Polar Surface Area

66.8Ų

Heavy Atom Count

9

Formal Charge

0

Complexity

91

Isotope Atom Count

0

Defined Atom Stereocenter Count

0

Undefined Atom Stereocenter Count

1

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Physical Description

Colorless liquid; Very hygroscopic; Commercial product is pale yellow liquid; [Merck Index] Slightly viscous liquid; [MSDSonline]

Boiling Point

129-131 °C @ 3 MM HG

Melting Point

-78 °C

Density

1.206 @ 20 °C/4 °C

Solubility 

Sol In Water, Alcohol, Slightly In Ether; Insol In Benzene

Vapor Pressure

0.00392 [mmHg]

Source: PubChem            
Source Species: Artocarpus altilis.
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