3-(1,3-Benzodioxol-5-yl)-2-methylpropanal

Basic Information

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CAS Number

1205-17-0

Molecular Formula

C11H12O3

Molecular Weight

192.21 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Aldehydes

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

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

Boiling Point

154°C/6mmHg

Refractive Index

n20/D 1.5335(lit.)

Vapor Pressure

0.0±0.6 mmHg at 25°C

SMILES

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CC(Cc1ccc2c(c1)OCO2)C=O

InChI

InChI=1S/C11H12O3/c1-8(6-12)4-9-2-3-10-11(5-9)14-7-13-10/h2-3,5-6,8H,4,7H2,1H3

InChIKey

BOPPSUHPZARXTH-UHFFFAOYSA-N

LogP

1.7927999999999997

Topological Polar Surface Area

35.53 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

205

Safety Information

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Hazard Statement

H317 May cause an allergic skin reaction
Sensitization, Skin

H361 Suspected of damaging fertility or the unborn child
Reproductive toxicity

H373 Causes damage to organs through prolonged or repeated exposure
Specific target organ toxicity, repeated exposure

H411 Toxic to aquatic life with long lasting effects
Hazardous to the aquatic environment, long-term hazard

Synonyms & References

English

2-Methyl-3-(3,4-methylenedioxyphenyl)propanal
Helional[IFF]
Aquanal[Quest]
Heliobouquet[Takasago]
2-Methyl-3-(3,4-methylenedioxyphenyl)propionaldehyde
2-Methyl-3-(3,4-methylenedioxyphenyl)-propanal
Helional
HYDROCINNAMALDEHYDE
a-methyl
AQUANAL
Floramelon
Heliogan
New heliotropin
TROPINAL
Tropional
α-Methyl-1,3-benzodioxole-5-propanal
Hydrocinnamaldehyde,a-methyl-3,4-(methylenedioxy)-(6CI,7CI,8CI)
3-(3,4-Methylenedioxyphenyl)-2-methylpropanal
Heliobouquet
Helipropanal
NSC 22282
a-Methyl-1,3-benzodioxole-5-propanal
a-Methyl-3,4-(methylenedioxy)hydrocinnamaldehyde

MDL Number

MFCD00067053

Customs Code

2932999099

FAQ

What is 3-(1,3-Benzodioxol-5-yl)-2-methylpropanal (CAS: 1205-17-0)?

3-(1,3-Benzodioxol-5-yl)-2-methylpropanal (CAS: 1205-17-0) is a synthetic organic compound with the molecular formula C13H12O3. It contains a benzodioxole ring and an aldehyde group, making it a versatile intermediate in chemical synthesis. The compound is typically a pale yellow liquid with a characteristic odor, known for its reactivity in pharmaceutical and industrial applications.

What are the main uses of 3-(1,3-Benzodioxol-5-yl)-2-methylpropanal (CAS: 1205-17-0)?

3-(1,3-Benzodioxol-5-yl)-2-methylpropanal (CAS: 1205-17-0) is widely used in pharmaceutical research for drug development, particularly in compounds targeting neurological and anti-inflammatory pathways. It also serves as an industrial chemical in the production of fragrances, dyes, and specialty materials. In research settings, it acts as a building block for synthesizing complex organic molecules and studying reaction mechanisms.

Is 3-(1,3-Benzodioxol-5-yl)-2-methylpropanal (CAS: 1205-17-0) safe?

3-(1,3-Benzodioxol-5-yl)-2-methylpropanal (CAS: 1205-17-0) requires standard safety precautions due to potential skin and eye irritation. It is classified as a hazardous chemical under OSHA and REACH regulations. Users should handle it in a well-ventilated area, wear protective gloves and goggles, and follow guidelines outlined in its Safety Data Sheet (SDS) to ensure safe usage and minimize exposure risks.

How should 3-(1,3-Benzodioxol-5-yl)-2-methylpropanal (CAS: 1205-17-0) be stored?

3-(1,3-Benzodioxol-5-yl)-2-methylpropanal (CAS: 1205-17-0) should be stored in a sealed, airtight container at controlled room temperature (15-25°C) to maintain stability. It is sensitive to moisture and light, so storage in a cool, dry place away from direct sunlight is recommended. Always keep in a fire-resistant cabinet and ensure proper labeling for safe handling.