1-Butyl-2-methyl-1H-indole

Basic Information

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CAS Number

42951-35-9

Molecular Formula

C13H17N

Molecular Weight

187.29 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

SMILES

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CCCCN1C(=CC2=CC=CC=C21)C

InChI

InChI=1S/C13H17N/c1-3-4-9-14-11(2)10-12-7-5-6-8-13(12)14/h5-8,10H,3-4,9H2,1-2H3

InChIKey

OPAHUBUOHKIOOL-UHFFFAOYSA-N

LogP

3.7498200000000024

Topological Polar Surface Area

4.93 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

178

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

AKOS005259041
AS-17328
1-butyl-2-methylindole
SCHEMBL4220374
AC-28910
OPAHUBUOHKIOOL-UHFFFAOYSA-N
CS-0323203
DTXSID1068437
1n-butyl-2-methylindole
FT-0639817
1-butyl-2-methyl-indole
MFCD04972048
1-n-butyl-2-methyindole
A826079
1H-Indole, 1-butyl-2-methyl-
B-9495
1-Butyl-2-methyl-1H-indole
1-n-butyl-2-methylindole
42951-35-9
D95818
1-Butyl-2-methylindole
1-n-Butyl-2-methylindole

MDL Number

MFCD04972048

Customs Code

2933990090

FAQ

What is 1-Butyl-2-methyl-1H-indole (CAS: 42951-35-9)?

1-Butyl-2-methyl-1H-indole is an organic compound with the CAS number 42951-35-9. It is a yellow or brown solid with a distinctive aroma. The molecular formula is C12H13N. This compound is known for its fragrance and is used in perfumes and flavorings.

What are the main uses of 1-Butyl-2-methyl-1H-indole (CAS: 42951-35-9)?

1-Butyl-2-methyl-1H-indole is primarily used in the fragrance industry, including perfumes and colognes. It is also found in some food flavorings. Additionally, it is used in research as a starting material for synthesizing other compounds.

Is 1-Butyl-2-methyl-1H-indole (CAS: 42951-35-9) safe?

1-Butyl-2-methyl-1H-indole is generally considered safe for its intended uses. However, it should be handled with care as it may cause skin and eye irritation. Proper protective equipment, such as gloves and safety goggles, should be worn during handling. Ensure adequate ventilation in the workplace.

How should 1-Butyl-2-methyl-1H-indole (CAS: 42951-35-9) be stored?

1-Butyl-2-methyl-1H-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 moisture absorption. The storage temperature should not exceed 25°C to maintain its stability and avoid degradation.