3,3-Dimethylbutanal

Basic Information

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CAS Number

2987-16-8

Molecular Formula

C6H12O

Molecular Weight

100.16 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Aldehydes

Basic Physical Properties

Melting Point

-24 °C

Boiling Point

104-106 °C

Refractive Index

n20/D 1.397(lit.)

SMILES

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CC(C)(C)CC=O

InChI

InChI=1S/C6H12O/c1-6(2,3)4-5-7/h5H,4H2,1-3H3

InChIKey

LTNUSYNQZJZUSY-UHFFFAOYSA-N

LogP

1.6215

Topological Polar Surface Area

17.07 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

59.1

Safety Information

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Hazard Statement

H225 Highly Flammable liquid and vapor
Flammable liquids

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

Hazard Class

Class 3 Class 3

Sensitiveness

Air & Moisture Sensitive

Synonyms & References

English

A820087
Neohexal
NS00028794
3,3-dimethylbutyraldehyd
UNII-CAM6HD7JKI
3,3-dimethylbutan-1-one
MFCD00042807
3-METHYL-ISOVALERALDEHYDE
F2191-0024
3,3-Dimethylbutyraldehyde, 95%
Q18130802
Butanal, 3,3-dimethyl-
3,3-Dimethylbutyraldehyde
Butyraldehyde, 3,3-dimethyl-
3,3-DiMethyl-Butanal
AS-11404
BP-11297
FT-0601971
3,3-dimethyl-butyraldehyde
DTXSID60183984
EINECS 221-054-3
2987-16-8
AM20090398
EN300-66394
Q-100380
CAM6HD7JKI
AKOS009157149
3,3-Dimethylbutyraldehyde, purum, >=95.0% (GC)
tert-Butylacetaldehyde
3,3-dimethylbutanal
D4098

MDL Number

MFCD00042807

Customs Code

2912190090

FAQ

What are the physical and chemical properties of 3,3-Dimethylbutanal (CAS: 2987-16-8)?

3,3-Dimethylbutanal (CAS: 2987-16-8) is a colorless liquid with a pungent odor. It has a molecular weight of 108.17 g/mol and a boiling point of 116.5°C. The compound is slightly soluble in water but miscible with most organic solvents. It is reactive and can undergo addition and condensation reactions.

How is 3,3-Dimethylbutanal (CAS: 2987-16-8) typically synthesized?

3,3-Dimethylbutanal (CAS: 2987-16-8) is commonly synthesized via the oxidation of 3,3-dimethylbutan-2-ol using catalytic oxidation with potassium permanganate or other oxidizing agents. The reaction is selective and yields a high purity product.

What industries use 3,3-Dimethylbutanal (CAS: 2987-16-8)?

3,3-Dimethylbutanal (CAS: 2987-16-8) is used in the pharmaceutical industry as a precursor for the synthesis of certain drugs. It also finds applications in the sensor industry for detecting aldehydes, in the semiconductor industry for organic synthesis, and in the polymer industry as a monomer.

What precautions should be taken when handling 3,3-Dimethylbutanal (CAS: 2987-16-8)?

When handling 3,3-Dimethylbutanal (CAS: 2987-16-8), it is important to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The compound should be stored in a well-ventilated area and handled in a fume hood. Spills should be cleaned up with appropriate absorbent material, and proper safety data sheets (SDS) should be consulted for detailed information on disposal and emergency procedures.