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1,3-Dimethylbutyl acetate

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Identification
Molecular formula
C8H16O2
CAS number
67674-67-3
IUPAC name
1,3-dimethylbutyl acetate
State
State

At room temperature, 1,3-Dimethylbutyl acetate is in a liquid state.

Melting point (Celsius)
-60.00
Melting point (Kelvin)
213.15
Boiling point (Celsius)
156.40
Boiling point (Kelvin)
429.55
General information
Molecular weight
144.21g/mol
Molar mass
144.2110g/mol
Density
0.8710g/cm3
Appearence

1,3-Dimethylbutyl acetate is a colorless liquid with a fruity odor. It is part of the ester family and is often used in perfumes and as a flavoring agent due to its pleasant scent.

Comment on solubility

Solubility of 1,3-Dimethylbutyl Acetate

1,3-Dimethylbutyl acetate (C8H16O2) demonstrates distinctive solubility characteristics that align with its molecular structure. Understanding its solubility is essential for its applications in various chemical processes.

General Solubility Behavior

This compound is classified as an ester, which generally influences its solubility properties. Here are some key points to consider:

  • Polar vs. Nonpolar: Due to the ester functional group, 1,3-dimethylbutyl acetate exhibits moderate polarity, allowing it to dissolve well in polar solvents.
  • Solvent Compatibility: It is particularly soluble in organic solvents such as ethanol and acetone, making it useful in formulations where organic solvents are employed.
  • Water Solubility: However, its solubility in water is limited. This is typical for larger esters, as the hydrophobic carbon chain reduces affinity for water.
    As a guideline, esters with longer hydrocarbon chains tend to have decreased solubility in water.

Conclusion

In summary, 1,3-dimethylbutyl acetate presents moderate solubility in polar solvents while exhibiting limited compatibility with water. This behavior emphasizes the importance of considering solvent choices in applications involving this compound, as well as the underlying molecular interactions at play.

Interesting facts

Interesting Facts about 1,3-Dimethylbutyl Acetate

1,3-Dimethylbutyl acetate is an intriguing organic compound belonging to the family of esters. Here are some interesting aspects that make this compound noteworthy:

  • Scent and Aroma: This compound is well known for its pleasant fruity aroma, reminiscent of ripe fruits. It is often utilized in the flavoring and fragrance industries to enhance the sensory experience of products.
  • Applications: The ester is widely used as a solvent in various applications, including:
    • Cosmetic formulations
    • Food flavoring agents
    • Perfumes and fragrances
    • Industrial cleaning products
    • Paints and coatings
  • Biodegradability: 1,3-Dimethylbutyl acetate is known for its biodegradability, making it a more environmentally friendly option compared to some other organic solvents.
  • Health and Safety: Although generally regarded as safe in low concentrations, precautions should still be taken due to potential sensitivities and irritative effects. Always refer to safety data sheets when working with this compound.
  • Chemical Behavior: As an ester, it can undergo hydrolysis in the presence of water and acids or bases, resulting in the formation of the corresponding acid and alcohol. This reaction is often studied in organic chemistry courses.

In summary, 1,3-dimethylbutyl acetate is a versatile compound with a pleasing fragrance and significant applications in various industries. Its characteristics evoke interest not only among chemists but also among those engaged in the fields of perfumery and flavor science.

Synonyms
1,3-Dimethylbutyl acetate
108-84-9
4-METHYL-2-PENTYL ACETATE
Methylamyl acetate
Methylisoamyl acetate
4-Methyl-2-amyl acetate
sec-Hexyl acetate
1,3-Dimethylbutyl ethanoate
Methyl amyl acetate
Methylisobutylcarbinol acetate
Methylisobutylcarbinyl acetate
2-Pentanol, 4-methyl-, acetate
4-methylpentan-2-yl acetate
4-Methyl-2-pentanol, acetate
MAAc
NSC 567
4-Methyl-2-pentanol acetate
Acetic acid, 1,3-dimethylbutyl ester
HSDB 1155
IP9ZB28RWN
2-Pentanol, 4-methyl-, 2-acetate
EINECS 203-621-7
UN1233
1,3-Dimethylbutylester kyseliny octove
BRN 1749848
sek.Isohexylester kyseliny octove [Czech]
sek.Isohexylester kyseliny octove
AI3-11271
NSC-567
1,3-Dimethylbutylester kyseliny octove [Czech]
Acetic Acid 1,3-Dimethylbutyl Ester
Acetic Acid 4-Methyl-2-pentyl Ester
DTXSID6051562
METHYL AMYL ACETATE [HSDB]
4-02-00-00161 (Beilstein Handbook Reference)
4-METHYLPENT-2-YL ETHANOATE
sek.Isohexylester kyseliny octove (Czech)
1,3-Dimethylbutylester kyseliny octove (Czech)
UNII-IP9ZB28RWN
MFCD00053723
4Methyl2amyl acetate
4Methyl2pentyl acetate
1,3Dimethylbutyl acetate
2-Methyl-4-pentylacetat
4Methyl2pentanol, acetate
1,3Dimethylbutyl ethanoate
4-Methylpent-2-yl acetate
2-methyl-4-pentanol acetate
2Pentanol, 4methyl, acetate
SCHEMBL766233
NSC567
DTXCID0030114
CPIVYSAVIPTCCX-UHFFFAOYSA-
Acetic acid,3-dimethylbutyl ester
sec-Hexyl acetate (ACGIH:OSHA)
Acetic acid, 1,3dimethylbutyl ester
1,3Dimethylbutylester kyseliny octove
AKOS015903892
METHYL ISOBUTYL CARBINYL ACETATE
UN 1233
2-PENTANOL, 4-METHYL, ACETATE
WLN: 1Y1 & 1Y1 & OV1
A1347
NS00012273
D88423
Methylamyl acetate [UN1233] [Flammable liquid]
Q20966927
InChI=1/C8H16O2/c1-6(2)5-7(3)10-8(4)9/h6-7H,5H2,1-4H3
203-621-7