2-Hydroxy-2,4,6-cycloheptatrien-1-one

Basic Information

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CAS Number

533-75-5

Molecular Formula

C7H6O2

Molecular Weight

122.12 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

50-52 °C <br />50-52 °C

Boiling Point

80-84 °C/0.1 mmHg

Water Solubility

Soluble in water.

Solubility

40.9g/l (experimental)

Refractive Index

1.5286 (estimate)

SMILES

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Oc1cccccc1=O

InChI

InChI=1S/C7H6O2/c8-6-4-2-1-3-5-7(6)9/h1-5H,(H,8,9)

InChIKey

MDYOLVRUBBJPFM-UHFFFAOYSA-N

LogP

0.7524

pKa

6.7(at 25℃)

Topological Polar Surface Area

37.3 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

209

Safety Information

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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

Sensitiveness

Hygroscopic

Synonyms & References

English

Tropolone
2-HYDROXY-2,4,6-CYCLOHEPTATRIEN-1-ONE
2-HYDROXY-2,4,6-CYCLOHEPTATRIENONE
2-Hydroxycyclohepta-2,4,6-trienone
2-Hydroxy-2,4,6-cycloheptatriene-1-one
2-hydroxytropone
6-cycloheptatrien-1-one,2-hydroxy-4
Purpurocatechol
2-Hydroxy-2,4,6-Cycloheptatrie
2,4,6-Cycloheptatrien-1-one, 2-hydroxy-
2-Hydroxycyclohepta-2,4,6-trien-1-one
a-Tropolone
2-Hydroxycycloheptane-2,4,6-triene-1-one
2-hydroxi-2,4,6-cycloheptatrien-1-one
TROPOLONE FOR SYNTHESIS 1 G
TROPOLONE FOR SYNTHESIS 5 G

MDL Number

MFCD00004158

Customs Code

29144090

FAQ

What is 2-Hydroxy-2,4,6-cycloheptatrien-1-one (CAS: 533-75-5)?

2-Hydroxy-2,4,6-cycloheptatrien-1-one is a cyclic ketone with the chemical formula C7H8O2. It is a colorless liquid with a distinct odor. This compound is used in various applications including pharmaceuticals, as a fragrance ingredient, and in research.

What are the main uses of 2-Hydroxy-2,4,6-cycloheptatrien-1-one (CAS: 533-75-5)?

2-Hydroxy-2,4,6-cycloheptatrien-1-one is primarily used in the fragrance industry for its aroma. It is also found in some pharmaceutical preparations, used in research for organic synthesis, and as a flavoring agent in food.

Is 2-Hydroxy-2,4,6-cycloheptatrien-1-one (CAS: 533-75-5) safe?

2-Hydroxy-2,4,6-cycloheptatrien-1-one is generally considered safe when used appropriately. However, it is a sensitizing agent and may cause skin irritation. Proper handling, including the use of gloves, is recommended. Storage should be in a cool, dry place away from direct sunlight.

How should 2-Hydroxy-2,4,6-cycloheptatrien-1-one (CAS: 533-75-5) be stored?

2-Hydroxy-2,4,6-cycloheptatrien-1-one should be stored in a well-ventilated area away from heat and sources of ignition. It should be kept in a cool, dry place, away from direct sunlight. The container should be tightly closed at all times to maintain the quality of the material. Avoid contact with water and other moisture.