(1-~13~C)Octadecanoic acid

Basic Information

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CAS Number

85541-42-0

Molecular Formula

C1713CH36O2

Molecular Weight

285.48 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

68-70 °C

Boiling Point

361 °C

Flash Point

113℃

SMILES

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CCCCCCCCCCCCCCCCC[13C](=O)O

InChI

InChI=1S/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20)/i18+1

InChIKey

QIQXTHQIDYTFRH-CPZJZEHKSA-N

LogP

6.332500000000007

Topological Polar Surface Area

37.3 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

202

Synonyms & References

English

OCTADECANOIC ACID-1-13C
Stearic Acid-1-13C
1-[13C]-stearic acid
1-Heptadecanecarboxylic Acid-13C
n-Octadecanoic Acid-13C
octadecanoic acid
OCTADECANOIC ACID-13C
stearic-1-13C acid
Stearophanic Acid-13C
Stearic Acid

MDL Number

MFCD00002753

FAQ

What is (1-13C)Octadecanoic acid (CAS: 85541-42-0)?

(1-13C)Octadecanoic acid, also known as 13C-18:0, is a stable isomer of stearic acid labeled with 13C. It is used as an internal standard in analytical chemistry for the detection and quantification of unlabeled stearic acid.

What are the main uses of (1-13C)Octadecanoic acid (CAS: 85541-42-0)?

(1-13C)Octadecanoic acid is primarily used as an internal standard in analytical chemistry, particularly in gas chromatography and mass spectrometry for the accurate quantification of stearic acid in various samples such as food, pharmaceuticals, and environmental samples.

Is (1-13C)Octadecanoic acid (CAS: 85541-42-0) safe?

(1-13C)Octadecanoic acid is considered safe for its intended use as an analytical standard. However, users should handle it with standard safety precautions, including wearing appropriate personal protective equipment (PPE) and ensuring proper ventilation during handling.

How should (1-13C)Octadecanoic acid (CAS: 85541-42-0) be stored?

(1-13C)Octadecanoic acid should be stored in a cool, dry place away from direct sunlight and heat sources. It should be kept in a tightly sealed container to prevent contamination and degradation. Maintain a stable temperature and avoid exposure to moisture and strong acids or bases.