4-Pentylphenyl 4-propylbenzoate

Basic Information

View in Editor

CAS Number

50649-60-0

Molecular Formula

C21H26O2

Molecular Weight

310.44 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

15-18℃

Boiling Point

433.9°C at 760 mmHg

Refractive Index

n20/D 1.543

SMILES

View in Editor

CCCCCC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)CCC

InChI

InChI=1S/C21H26O2/c1-3-5-6-8-18-11-15-20(16-12-18)23-21(22)19-13-9-17(7-4-2)10-14-19/h9-16H,3-8H2,1-2H3

InChIKey

WNBFPAKRCJNBBS-UHFFFAOYSA-N

LogP

5.5910000000000055

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

323

Safety Information

View Safety Information

Hazard Statement

H318 Causes serious eye damage
Serious eye damage/eye irritation

H413 May cause long lasting harmful effects to aquatic life
Hazardous to the aquatic environment, long-term hazard

Synonyms & References

English

4-Pentylphenyl 4-propylbenzoate
50649-60-0
Benzoic acid, 4-propyl-, 4-pentylphenyl ester
C21H26O2
4-(n-propyl)benzoic acid-4'-(n-pentyl)phenol ester
p-pentyl phenyl-p-propylbenzoate
4-pentylphenyl 4'-propylbenzoate
FT-0639922
DS-12624
(4-pentylphenyl) 4-propylbenzoate
EINECS 256-684-8
HSH7XXL3AP
NS00032113
4-propylbenzoic acid (4-pentylphenyl) ester
SCHEMBL3612308
DTXSID5068570
AKOS015917723
4-Pentylphenyl-4'-propylbenzoate
4-n-Pentylphenyl 4-n-propylbenzoate
p-Pentylphenyl p-propylbenzoate
A828222
4-Pentylphenyl 4-propylbenzoate, 97%
CS-W012063
W-105939
4-Pentylphenyl-4-Propylbenzoate
4-PENTYLPHENYL 4'-PROPYLBENZOATE ---LIQUID CRYSTAL---
FR-2373
VZ29656
TRA0042428

MDL Number

MFCD00041941

Customs Code

2916399090

FAQ

What is 4-Pentylphenyl 4-propylbenzoate (CAS: 50649-60-0)?

4-Pentylphenyl 4-propylbenzoate (CAS: 50649-60-0) is a colorless to yellowish liquid with a distinctive odor. It is structurally complex, containing a benzene ring with substituents of a pentyl and a propyl group. This compound is used in various applications including fragrances and as a solvent in the chemical industry.

What are the main uses of 4-Pentylphenyl 4-propylbenzoate (CAS: 50649-60-0)?

4-Pentylphenyl 4-propylbenzoate (CAS: 50649-60-0) is primarily used as a fragrance ingredient in the cosmetics and toiletries industry. It also serves as a solvent in the synthesis of other compounds and has applications in the pharmaceutical and research sectors.

Is 4-Pentylphenyl 4-propylbenzoate (CAS: 50649-60-0) safe?

4-Pentylphenyl 4-propylbenzoate (CAS: 50649-60-0) is generally considered safe for use in fragrances and cosmetics, but users should be aware of potential skin irritation. It is important to follow all safety precautions, such as wearing gloves and protective clothing when handling the compound.

How should 4-Pentylphenyl 4-propylbenzoate (CAS: 50649-60-0) be stored?

4-Pentylphenyl 4-propylbenzoate (CAS: 50649-60-0) should be stored in a cool, dry place away from direct sunlight and heat sources. It should be kept in a tightly sealed container to prevent evaporation and contamination. Avoid storing it near oxidizing agents or other reactive materials.