6-Hexyltetrahydro-2H-pyran-2-one

Basic Information

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CAS Number

710-04-3

Molecular Formula

C11H20O2

Molecular Weight

184.28 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Boiling Point

168°C/12mmHg

Density

0.969 g/mL at 25 °C

Refractive Index

n20/D 1.459(lit.)

SMILES

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CCCCCCC1CCCC(O1)=O

InChI

InChI=1S/C11H20O2/c1-2-3-4-5-7-10-8-6-9-11(12)13-10/h10H,2-9H2,1H3

InChIKey

YZRXRLLRSPQHDK-UHFFFAOYSA-N

LogP

3.052500000000002

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

154

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

Hazard Statement

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

undecanoic delta-lactone
5-HYDROXY-N-UNDECANOIC ACID DELTA-LACTONE
6-hexyloxan-2-one
6-Hexyltetrahydro-2H-pyran-2-one
DELTA-UNDECALACTONE
DELTA-UNDECANOLACTONE
FEMA 3294
UNDECALACTONE, DELTA-
Undecanolactone
2H-Pyran-2-one, 6-hexyltetrahydro-
2H-Pyran-2-one, tetrahydro-3-hexyl-
5-Hydroxyundecanoic acid lactone
5-hydroxy-undecanoicacidelta-lactone
6-hexyltetrahydro-2h-pyran-2-on
beta-Undecalactone
delta-Hexyl-delta-valerolactone
delta-Hexylvalerolactone
tetrahydro-3-hexyl-2h-pyran-2-on
Undecan-5-olide
Undecanoic δ-lactone
DELTA UNDECALACTONE
UNDECALACTONE, DELTA-(AS)
Vanillin
δ-Undecalactone
5-Hydroxyundecanoic Acid δ-Lactone
5-Undecanolide
Undecanolide-1,5
FEMA No. 3294
Undecanoic
A-lactone
.delta.-Hexylvalerolactone

MDL Number

MFCD00006650

Customs Code

2932999099

FAQ

What are the physical and chemical properties of 6-Hexyltetrahydro-2H-pyran-2-one (CAS: 710-04-3)?

6-Hexyltetrahydro-2H-pyran-2-one is a colorless to light yellow liquid with a soluble molecular weight of 188.27 g/mol. It has a high boiling point of approximately 245°C and is slightly soluble in water. This compound is reactive, particularly towards nucleophiles, and can undergo hydrolysis under basic conditions. It is commonly used in organic synthesis and as a precursor in various applications.

How is 6-Hexyltetrahydro-2H-pyran-2-one (CAS: 710-04-3) typically synthesized?

6-Hexyltetrahydro-2H-pyran-2-one can be synthesized via the ring-opening of a hexahydro-2H-pyran derivative with hexanoyl chloride in the presence of a suitable base like potassium hydroxide. The reaction is conducted in a solvent such as dichloromethane, and the product is isolated by recrystallization or distillation. The yield is typically around 70-80%, and the reaction is highly selective.

What industries use 6-Hexyltetrahydro-2H-pyran-2-one (CAS: 710-04-3)?

6-Hexyltetrahydro-2H-pyran-2-one is primarily used in the pharmaceutical and polymer industries. It serves as a building block in the synthesis of various organic compounds and is also employed in the production of resins and coatings. Additionally, it has applications in the development of sensors and as a reagent in organic chemistry experiments.

What precautions should be taken when handling 6-Hexyltetrahydro-2H-pyran-2-one (CAS: 710-04-3)?

Proper handling of 6-Hexyltetrahydro-2H-pyran-2-one requires the use of personal protective equipment (PPE) such as gloves and safety glasses. It should be stored in a closed container away from heat, sparks, and sources of ignition. In case of a spill, it is recommended to use appropriate absorbents and follow proper disposal procedures as outlined in the safety data sheet (SDS). Handling should be done in a fume hood to minimize exposure to vapors.