6-Heptyltetrahydro-2H-pyran-2-one

Basic Information

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CAS Number

713-95-1

Molecular Formula

C12H22O2

Molecular Weight

198.31 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

Melting Point

−12 °C

Boiling Point

140-141 °C/1 mmHg

Density

0.942 g/mL at 25 °C

Water Solubility

Not miscible or difficult to mix in water.

Refractive Index

n20/D 1.460(lit.)

SMILES

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CCCCCCCC1CCCC(=O)O1

InChI

InChI=1S/C12H22O2/c1-2-3-4-5-6-8-11-9-7-10-12(13)14-11/h11H,2-10H2,1H3

InChIKey

QRPLZGZHJABGRS-UHFFFAOYSA-N

LogP

3.4426000000000023

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

166

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

D-DODECALACTONE
(+/-)-5-DODECANOLIDE
5-HYDROXYDODECANOIC ACID DELTA-LACTONE
(+/-)-6-HEPTYLTETRAHYDRO-2H-PYRAN-2-ONE
DELTA-DODECALACTONE
(+/-)-DELTA-DODECANOLACTONE
DELTA-DODECANOLACTONE
(+/-)-DELTA-HEPTYL-DELTA-VALEROLACTONE
DELTA-LAUROLACTONE
DODECALACTONE, DELTA-
DODECANOLACTONE
FEMA 2401
2H-Pyran-2-one, tetrahydro-6-heptyl
5-Hydroxydodecanoic acid, lactone
5-hydroxy-dodecanoicacidelta-lactone
6-heptyltetrahydro-2h-pyran-2-on
beta-Dodecalactone
Dodecan-5-olide
Dodecanoic acid, 5-hydroxy-, delta-lactone
δ-Dodecalactone
6-Heptyltetrahydro-2H-pyran-2-one
DODECALACTONE, Delta-(RG)
(±)-δ-Heptyl-δ-valerolactone
5-dodecalactone
6-heptyltetrahydropyran-2-one
6-heptylvalerolactone
d-Dodecanolactone
dl-6-heptyltetrahydropyran-2-one
Dodecan-5-olid
i-dodecanolactone
δ-Laurolactone

MDL Number

MFCD00006651

FAQ

What is 6-Heptyltetrahydro-2H-pyran-2-one (CAS: 713-95-1)?

6-Heptyltetrahydro-2H-pyran-2-one (CAS: 713-95-1) is a cyclic ester compound with the chemical formula C10H20O2. It is a colorless liquid known for its stability and low reactivity, commonly used in organic synthesis. Its structure features a pyranone ring with a heptyl side chain, making it a versatile intermediate in various chemical applications.

What are the main uses of 6-Heptyltetrahydro-2H-pyran-2-one (CAS: 713-95-1)?

6-Heptyltetrahydro-2H-pyran-2-one (CAS: 713-95-1) is primarily used in pharmaceuticals as a building block for drug development. It also finds applications in the food industry as a flavoring agent and in research for studying chemical structures. Additionally, it is utilized in industrial processes for synthesizing other organic compounds and in cosmetic formulations due to its stable properties.

Is 6-Heptyltetrahydro-2H-pyran-2-one (CAS: 713-95-1) safe?

6-Heptyltetrahydro-2H-pyran-2-one (CAS: 713-95-1) is generally considered safe when handled according to standard chemical safety protocols. However, it may cause mild skin or eye irritation. Safety measures include wearing protective gloves, goggles, and ensuring proper ventilation. It is not classified as highly toxic, but adherence to OSHA and EPA guidelines is recommended for safe handling.

How should 6-Heptyltetrahydro-2H-pyran-2-one (CAS: 713-95-1) be stored?

6-Heptyltetrahydro-2H-pyran-2-one (CAS: 713-95-1) should be stored in a cool, dry place, ideally at 2-8°C, to maintain stability. It is sensitive to light and humidity, so storage in airtight containers away from direct sunlight is essential. Keep in a well-ventilated area and avoid exposure to incompatible materials to ensure long-term preservation.