5-Methoxy-2,3,3-trimethyl-3H-indole

Basic Information

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CAS Number

31241-19-7

Molecular Formula

C12H15NO

Molecular Weight

189.26 g/mol

Chemical Classification

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

Basic Physical Properties

Melting Point

57-60°C

SMILES

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CC1=NC2=C(C1(C)C)C=C(C=C2)OC

InChI

InChI=1S/C12H15NO/c1-8-12(2,3)10-7-9(14-4)5-6-11(10)13-8/h5-7H,1-4H3

InChIKey

UOGHZHPESMATDD-UHFFFAOYSA-N

LogP

3.078800000000001

Topological Polar Surface Area

21.59 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

257

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

Synonyms & References

English

MFCD04972105
AS-12568
5-Methoxy-2,3,3-trimethyl-indolenine
AKOS005259061
31241-19-7
5-methoxy-2,3,3-trimethyl-indole
CS-0152762
SCHEMBL3216062
5-methoxy-2,3,3-trimethylindole
FT-0736153
T-6670
3H-Indole, 5-methoxy-2,3,3-trimethyl-
5-Methoxy-2,3,3-trimethyl-3H-indole
A820766
2,3,3-Trimethyl 5-methoxy indolenine
s10108
2,3,3-Trimethyl-5-Methoxy-indolenine
DTXSID50454998
2,3,3-trimethyl-5-methoxy-3H-indole
UOGHZHPESMATDD-UHFFFAOYSA-N
2,3,3-TRIMETHYL-5-METHOXY-3H-INDOLE
2,3,3-Trimethyl-5-methoxyindole
2,2-PENTAMETHYLENE-1,3-DIOXOLAN-4-ONE
5-methoxy-2,3,3-trimethyl-3H-indol
2,3,3-Trimethyl-5-methoxyindolenine

MDL Number

MFCD04972105

Customs Code

2933990090

FAQ

What is 5-Methoxy-2,3,3-trimethyl-3H-indole (CAS: 31241-19-7)?

5-Methoxy-2,3,3-trimethyl-3H-indole is an organic compound with the CAS number 31241-19-7. It has a molecular formula of C13H17NO and is a member of the indole family. This compound exhibits aromatic character and is known for its distinctive odor similar to vanilla or cinnamon.

What are the main uses of 5-Methoxy-2,3,3-trimethyl-3H-indole (CAS: 31241-19-7)?

5-Methoxy-2,3,3-trimethyl-3H-indole is primarily used in the fragrance and flavor industry due to its pleasant aroma. It is also utilized as a precursor in organic synthesis and has shown potential in medicinal chemistry as a molecule for further research.

Is 5-Methoxy-2,3,3-trimethyl-3H-indole (CAS: 31241-19-7) safe?

5-Methoxy-2,3,3-trimethyl-3H-indole is considered safe for most applications, but proper handling is essential. Users should avoid inhaling vapors, contact with skin, and eyes. Adequate ventilation and personal protective equipment (PPE) such as gloves and goggles should be used during handling.

How should 5-Methoxy-2,3,3-trimethyl-3H-indole (CAS: 31241-19-7) be stored?

5-Methoxy-2,3,3-trimethyl-3H-indole should be stored in a cool, dry place away from direct sunlight and sources of ignition. It should be kept in a tightly sealed container to prevent exposure to air and moisture. The temperature should be controlled between 15°C to 25°C, and humidity levels should be kept at a minimum to prevent degradation of the compound.