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Heptyl paraben

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Identification
Molecular formula
C13H18O3
CAS number
1085-12-7
IUPAC name
heptyl 4-hydroxybenzoate
State
State

At room temperature, heptyl paraben is a solid. It maintains a stable structure in its crystalline form and is not volatile under normal conditions.

Melting point (Celsius)
58.00
Melting point (Kelvin)
331.15
Boiling point (Celsius)
342.60
Boiling point (Kelvin)
615.75
General information
Molecular weight
222.28g/mol
Molar mass
222.2820g/mol
Density
1.1800g/cm3
Appearence

Heptyl paraben is a white crystalline powder. It is odorless and is used often in personal care products due to its preservative qualities.

Comment on solubility

Solubility of Heptyl 4-Hydroxybenzoate

Heptyl 4-hydroxybenzoate, also known as heptyl paraben, exhibits interesting solubility characteristics due to its unique molecular structure. Here’s a closer look at its solubility:

  • Solvent Compatibility: Heptyl 4-hydroxybenzoate is generally soluble in organic solvents such as ethanol and methanol, but it has limited solubility in water.
  • Hydrophobic Nature: The aliphatic heptyl group contributes to its hydrophobic character, making it less likely to dissolve in polar solvents like water.
  • pH Dependence: The solubility may vary depending on the pH of the solution, especially in formulations where hydrogen bonding is influenced.
  • Structural Influence: The presence of the hydroxyl group allows for some degree of solubility in various solvents, especially those that can engage in hydrogen bonding.

In summary, while heptyl 4-hydroxybenzoate is primarily soluble in organic solvents, it exhibits low solubility in water, emphasizing its role as a lipophilic compound in formulations. This property is essential for its use in various applications, particularly in the cosmetic and pharmaceutical industries where solubility profiles significantly influence product efficacy.

Interesting facts

Interesting Facts about Heptyl 4-hydroxybenzoate

Heptyl 4-hydroxybenzoate, often referred to as a derivative of paraben, is a fascinating compound widely used in various industries. Here are some intriguing insights:

  • Preservative Properties: Heptyl 4-hydroxybenzoate is primarily used as an antimicrobial agent in cosmetics and personal care products, helping to prolong shelf life by preventing the growth of harmful microorganisms.
  • Structure and Function: This compound features a unique structure that allows it to dissolve in both aqueous and oily environments, making it effective for various formulations.
  • Natural Alternatives: While it has synthetic origins, research continues into natural preservatives, leading to explorations of alternatives that could mimic the efficacy of heptyl 4-hydroxybenzoate while being more environmentally friendly.
  • Debate on Safety: The use of parabens, including heptyl 4-hydroxybenzoate, has been a topic of discussion regarding their potential links to health issues. While the scientific consensus currently supports their safety in regulated amounts, ongoing research is essential.

As with many chemical compounds, the science behind heptyl 4-hydroxybenzoate demonstrates the balance between functionality and safety, prompting both innovation and scrutiny in the field of medicinal and cosmetic chemistry.
In the ever-evolving landscape of chemical safety and environmental concerns, understanding such compounds is crucial for both scientists and consumers alike.

Synonyms
Heptyl 4-hydroxybenzoate
Heptylparaben
n-Heptyl 4-hydroxybenzoate
Heptyl p-hydroxybenzoate
Benzoic acid, 4-hydroxy-, heptyl ester
UNII-K2CIJ448IX
EINECS 214-115-0
K2CIJ448IX
BRN 2726540
DTXSID4022523
Benzoic acid, 4-hydroxy-, n-heptyl ester
Heptyl p-hydroxy benzoate
HEPTYLHYDROXYBENZOATE
HEPTYLPARABEN [FCC]
NSC-309818
DTXCID002523
4-10-00-00378 (Beilstein Handbook Reference)
Heptyl 4-hydroxybenzoic acid
ztjornvithuqja-uhfffaoysa-n
1085-12-7
Heptyl paraben
Nipaheptyl
n-Heptyl p-hydroxybenzoate
Staypro WS 7
p-Hydroxybenzoic acid heptyl ester
p-Oxybenzoesaureheptylester
BENZOIC ACID, p-HYDROXY-, HEPTYL ESTER
NSC 309818
CHEBI:34788
CAS-1085-12-7
n-Heptyl paraben; Heptyl parahydroxybenzoate
Heptyl4-hydroxybenzoate
p-Oxybenzoesaureheptylester [German]
4-Hydroxybenzoic acid-n-heptyl ester
MFCD00016481
n-heptyl-p-hydroxybenzoate
SCHEMBL66483
BIDD:ER0012
CHEMBL3186719
4-Hydroxybenzoic Acid Heptyl Ester
Tox21_200540
Tox21_303458
NSC309818
Heptyl 4-hydroxybenzoate, AldrichCPR
AKOS016846150
FH64886
NCGC00248687-01
NCGC00257279-01
NCGC00258094-01
AS-58175
DB-040833
CS-0207373
H0212
NS00021501
D90817
Q5732121