(3S,4S,6R)-3-Hexyl-4-hydroxy-6-undecyltetrahydro-2H-pyran-2-one

Basic Information

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CAS Number

104801-96-9

Molecular Formula

C22H42O3

Molecular Weight

354.58 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

Polymers and Plastics Thermoplastics Polyolefins

Basic Physical Properties

Melting Point

108-109 ºC

Boiling Point

483.15 °C at 760 mmHg

Flash Point

483.15 °C at 760 mmHg

Refractive Index

1.465

SMILES

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CCCCCCCCCCCC1CC(C(C(=O)O1)CCCCCC)O

InChI

InChI=1S/C22H42O3/c1-3-5-7-9-10-11-12-13-14-16-19-18-21(23)20(22(24)25-19)17-15-8-6-4-2/h19-21,23H,3-18H2,1-2H3/t19-,20+,21+/m1/s1

InChIKey

LRXRIVSWHMVULO-HKBOAZHASA-N

LogP

6.170300000000008

Topological Polar Surface Area

46.53 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

329

Synonyms & References

English

(3S,4S,6R)-tetrahydro-3-hexyl-4-hydroxy-6-undecyl-2 H-pyran 2-one
CS-0309757
(3S,4S,6R)-3-HEXYL-4-HYDROXY-6-UNDECYLOXAN-2-ONE
PS-17805
SCHEMBL2234631
(3S,4S,6R)-tetrahydro-3-hexyl-4 -hydroxy-6 undecyl-2H-pyran-2-one
(3S, 4S, 6R) tetrahydro-3-hexyl-4-hydroxy-6-undecyl-2H-pyran-2-one
Orlistat Intermediates
(3S,4S,6R)-3-hexyl-4-hydroxy-6-undecyl-tetrahydropyran-2-one
LRXRIVSWHMVULO-HKBOAZHASA-N
3-HEXYLTETRAHYDRO-4-HYDROXY-6-UNDECYL-2H-PYRAN-2-ONE
(3S,4S,6R)-3-Hexyl-4-hydroxy-6-undecyloxan-2-one (non-preferred name)
MFCD09833467
Orlistat intermediate
(3S,4S,6R)-tetrahydro-3-hexyl-4-hydroxy-6-undecyl-2H-pyran-2-one
D96786
(3S,4S,6R)-3-Hexyl-4-hydroxy-6-undecyltetrahydro-2H-pyran-2-one
DTXSID80451930
104801-96-9
(3S,4S,6R)-3-hexyl-4-hydroxy-6-undecyloxan-2-one
2H-Pyran-2-one,3-hexyltetrahydro-4-hydroxy-6-undecyl-, (3S,4S,6R)-
ACT07255
AG-D-17553
ANW-69579
CTK4A3368
MolPort-005-941-638
SureCN2234631
3-Hexyltetrahydro-4-hydroxy-6-undecyl-2H-pyran-2-one
(3S,4S,6R)-3-hexyltetrahydro-4-hydroxy-6-undecyl-2H-Pyran-2-one

MDL Number

MFCD09833467

Customs Code

29329990

FAQ

What is (3S,4S,6R)-3-Hexyl-4-hydroxy-6-undecyltetrahydro-2H-pyran-2-one (CAS: 104801-96-9)?

(3S,4S,6R)-3-Hexyl-4-hydroxy-6-undecyltetrahydro-2H-pyran-2-one is a cyclic ether compound with a molecular structure characterized by a six-membered ring with a hydroxyl group and two alkyl substituents. It is a clear, colorless liquid with a distinctive odor and a bitter taste.

What are the main uses of (3S,4S,6R)-3-Hexyl-4-hydroxy-6-undecyltetrahydro-2H-pyran-2-one (CAS: 104801-96-9)?

(3S,4S,6R)-3-Hexyl-4-hydroxy-6-undecyltetrahydro-2H-pyran-2-one is primarily used as a flavor and fragrance ingredient in the food and perfume industries. It is also utilized in pharmaceuticals for its potential therapeutic effects and in research for its chemical properties.

Is (3S,4S,6R)-3-Hexyl-4-hydroxy-6-undecyltetrahydro-2H-pyran-2-one (CAS: 104801-96-9) safe?

(3S,4S,6R)-3-Hexyl-4-hydroxy-6-undecyltetrahydro-2H-pyran-2-one is considered safe for its intended uses when used in accordance with good manufacturing practices. However, it is important to follow all safety guidelines and use appropriate personal protective equipment (PPE) to avoid skin contact and inhalation.

How should (3S,4S,6R)-3-Hexyl-4-hydroxy-6-undecyltetrahydro-2H-pyran-2-one (CAS: 104801-96-9) be stored?

(3S,4S,6R)-3-Hexyl-4-hydroxy-6-undecyltetrahydro-2H-pyran-2-one should be stored in a cool, dry place away from direct sunlight and heat sources. It should be kept in a sealed, amber glass container to protect it from light and moisture. Ensure proper ventilation and store it out of reach of children and pets.