Methoxyacetic acid

Methoxyacetic acid
Compound Structure:
Synonyms: 2-methoxyacetic acid; METHOXYACETIC ACID; 2-Methoxyacetic acid; Acetic acid, methoxy-; Methoxyethanoic acid; Acetic acid, 2-methoxy-; Methoxyacetlc acid; methoxy-acetic acid; 2-METHOXY-D3-ACETIC ACID; 2-MethoxyaceticAcid; methoxy acetic acid
Compound ID: NMPC-1237
PubChem ID:

12251

Molecular Formula: C3H6O3
Canonical SMILES: COCC(=O)O
InChIKey: RMIODHQZRUFFFF-UHFFFAOYSA-N
About the compound:

Methoxyacetic acid is a monocarboxylic acid that is acetic acid in which one of the methyl hydrogens is replaced by a methoxy group. It has a role as a human xenobiotic metabolite, an apoptosis inducer, a mutagen and an antineoplastic agent. It is a monocarboxylic acid and an ether. It is functionally related to an acetic acid. It is a conjugate acid of a methoxyacetate.

GHS Hazard Statements

H302: Harmful if swallowed [Warning Acute toxicity, oral]

H314: Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

H360FD: May damage fertility; May damage the unborn child [Danger Reproductive toxicity]

First Aid

1. Eyes:

Check for and remove any contact lenses.

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

Avoid using ointments, oils, or medications unless directed by a physician.

Transport the victim to a hospital immediately after flushing, even if there are no symptoms like redness or irritation.

2. Skin:

Immediately rinse affected skin with water while removing all contaminated clothing.

Wash the affected areas thoroughly with soap and water.

Contact a hospital or poison control center promptly, regardless of symptom presence.

Transport the victim to a hospital for treatment immediately after washing.

3. Inhalation:

Exit the contaminated area immediately and breathe fresh air.

If symptoms like wheezing, coughing, or burning sensations occur, contact a physician and be ready to transport the victim to a hospital.

Rescuers should use proper respiratory protection, such as a Self-Contained Breathing Apparatus (SCBA), when entering an uncertain environment.

4. Ingestion:

Do not induce vomiting due to the risk of further damage and aspiration.

If the victim is conscious and not convulsing, give them water to dilute the chemical and immediately seek medical assistance.

If the victim is convulsing or unconscious, ensure their airway is open, position them on their side with the head lower than the body, and transport them 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

90.08 g/mol

XLogP3-AA

-0.3

Hydrogen Bond Donor Count

1

Hydrogen Bond Acceptor Count

3

Rotatable Bond Count

2

Exact Mass

90.031694049 g/mol

Monoisotopic Mass

90.031694049 g/mol

Topological Polar Surface Area

46.5Ų

Heavy Atom Count

6

Formal Charge

0

Complexity

50

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

Colorless liquid

Boiling Point

397 to 399 °F at 760 mmHg

Melting Point

7.7 °C

Density

1.177 at 68 °F (NTP, 1992) - Denser than water; will sink

Solubility 

greater than or equal to 100 mg/mL at 66 °F (NTP, 1992)

Vapor Pressure

1 mmHg at 126.5 °F ; 40 mmHg at 252 °F; 400 mmHg at 363.6 °F (NTP, 1992)

Source: PubChem       

Source Species: Icacina tricantha
Synepalum dulcificum
Download SDF