Methyl Stearate

Methyl Stearate
Compound Structure:
Synonyms: Methyl octadecanoate; METHYL STEARATE; Octadecanoic acid, methyl ester; Stearic acid methyl ester; Methyl n-octadecanoate; Methyl Stearate-1-13C; n-Octadecanoic acid methyl ester; METHYLSTEARATE; Methyl-d3Stearate
Compound ID: NMPC-1251
PubChem ID:

8201
Molecular Formula: C19H38O2
Canonical SMILES: CCCCCCCCCCCCCCCCCC(=O)OC
InChIKey: HPEUJPJOZXNMSJ-UHFFFAOYSA-N
About the compound:

GHS Hazard Statements

Not Classified

Reported as not meeting GHS hazard criteria by 189 of 190 companies (only ~ 0.5% companies provided GHS information). For more detailed information, please visit ECHA C&L website.

First Aid

• If chemical contacts the eyes, remove contact lenses, flush with water or saline for 20-30 minutes, and transport to a hospital immediately, regardless of symptoms.

• For skin exposure, flood with water, wash with soap, and seek medical help if redness or irritation occurs.

• If inhaled, move to fresh air, use respiratory protection, and seek medical assistance for symptoms.

• If swallowed, do not induce vomiting. Give water if conscious, and transport to a hospital, avoiding oral intake if convulsing or unconscious due to the risk of aspiration.(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

Computed Properties

Property Name

Property Value

Molecular Weight

298.5 g/mol

XLogP3

9

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

2

Rotatable Bond Count

17

Exact Mass

298.287180451 g/mol

Monoisotopic Mass

298.287180451 g/mol

Topological Polar Surface Area

26.3Ų

Heavy Atom Count

21

Formal Charge

0

Complexity

214

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

Methyl stearate appears as white crystals or chunky solid. (NTP, 1992)

Boiling Point

443 °C

Melting Point

39.1 °C

Density

0.8498 @ 40 °C/4 °C

Solubility 

Insol in water; sol in alcohol or ether.

Vapor Pressure

0.0000136 [mmHg]

Source: PubChem
Source Species: Annona senegalensis
Artocarpus altilis.
Aspilia africana
Citrullus lanatus,
Funtumia africana
Nicotiana tabacum
Phaseolus vulgaris
Piper guineense
Terminalia superba
Urena lobata
Napoleonaea imperialis
Schrebera arborea
Synepalum dulcificum
Azanza garckeana
Hyptis suaveolens
Terminalia catappa
Download SDF