2-(Hexadecyloxy)-6-methyl-4H-3,1-benzoxazin-4-one

Basic Information

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CAS Number

282526-98-1

Molecular Formula

C25H39NO3

Molecular Weight

401.59 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Physical State

No data available

Melting Point

72.0 to 76.0 deg-C

Boiling Point

509.671°C at 760 mmHg

Flash Point

158.9±22.6 °C

Refractive Index

1.521

SMILES

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CCCCCCCCCCCCCCCCOC1=NC2=C(C=C(C=C2)C)C(=O)O1

InChI

InChI=1S/C25H39NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-28-25-26-23-18-17-21(2)20-22(23)24(27)29-25/h17-18,20H,3-16,19H2,1-2H3

InChIKey

MVCQKIKWYUURMU-UHFFFAOYSA-N

LogP

7.356520000000008

Topological Polar Surface Area

52.33 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

477

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

2-(Hexadecyloxy)-6-methyl-4H-3,1-benzoxazin-4-one
AKOS015915375
CHEBI:134721
BCP07371
CETILISTAT [WHO-DD]
oblean
MVCQKIKWYUURMU-UHFFFAOYSA-N
Oblean (TN)
2-hexadecoxy-6-methyl-3,1-benzoxazin-4-one
CCG-268665
EX-A983
HMS3873M13
NS00071047
C2745
Q3010545
Cetilistat (JAN/USAN/INN)
BC166233
ATL 962
Citilistat
2-Hexadecyloxy-6-methyl-4H-3,1-benzoxazin-4-one
SCHEMBL367612
Cametor
D09208
DTXSID90182506
UNII-LC5G1JUA39
LC5G1JUA39
NCGC00408859-01
AMY25231
DB06586
F16711
CS-5623

MDL Number

MFCD09839697

Customs Code

2942000000

FAQ

What is 2-(Hexadecyloxy)-6-methyl-4H-3,1-benzoxazin-4-one (CAS: 282526-98-1)?

2-(Hexadecyloxy)-6-methyl-4H-3,1-benzoxazin-4-one (CAS: 282526-98-1) is a synthetic organic compound with the chemical formula C24H37NO3. It is a white crystalline solid characterized by its benzoxazinone ring structure and long hydrocarbon chains, making it bioactive and suitable for applications in pharmaceuticals and agrochemicals. Its molecular weight is approximately 383.55 g/mol, and it exhibits moderate solubility in organic solvents.

What are the main uses of 2-(Hexadecyloxy)-6-methyl-4H-3,1-benzoxazin-4-one (CAS: 282526-98-1)?

This compound is primarily used in pharmaceutical research as a potential agrochemical and in the synthesis of bioactive derivatives. Its applications include fungicide development, plant growth regulator formulations, and as a key intermediate in drug discovery. It is also utilized in organic chemistry for studying molecular interactions and functional group modifications due to its unique structure.

Is 2-(Hexadecyloxy)-6-methyl-4H-3,1-benzoxazin-4-one (CAS: 282526-98-1) safe?

While 2-(Hexadecyloxy)-6-methyl-4H-3,1-benzoxazin-4-one (CAS: 282526-98-1) is generally considered safe when handled properly, it requires standard safety precautions. Limited toxicity data exists, but skin and eye irritation may occur upon contact. Always use protective gloves, goggles, and ensure proper ventilation. Follow OSHA guidelines and consult the SDS for detailed safety information.

How should 2-(Hexadecyloxy)-6-methyl-4H-3,1-benzoxazin-4-one (CAS: 282526-98-1) be stored?

Store 2-(Hexadecyloxy)-6-methyl-4H-3,1-benzoxazin-4-one (CAS: 282526-98-1) in a cool, dry place with controlled humidity (<60%) and away from light. Use airtight, dark-colored containers to maintain stability. Keep it at temperatures below 25°C and avoid exposure to incompatible substances. Ensure storage in a well-ventilated area to prevent contamination.