4-Pentylphenyl 4-methylbenzoate

Basic Information

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CAS Number

50649-59-7

Molecular Formula

C19H22O2

Molecular Weight

282.38 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

34-38 °C

SMILES

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

InChI

InChI=1S/C19H22O2/c1-3-4-5-6-16-9-13-18(14-10-16)21-19(20)17-11-7-15(2)8-12-17/h7-14H,3-6H2,1-2H3

InChIKey

OFNFLSYTTLXGBM-UHFFFAOYSA-N

LogP

4.946920000000004

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

297

Safety Information

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GHS Hazard Pictograms

H413

Hazard Statement

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

Synonyms & References

English

4-n-Pentylphenyl-4-methylbenzoate
FT-0650012
W-105940
MFCD01076322
DS-12623
4-Pentylphenyl 4-methylbenzoate, 97%
NS00032112
4-Methyl-benzoic acid 4-pentyl-phenyl ester
CS-W012260
SY240013
4-n-Pentylphenyl 4-methylbenzoate
50649-59-7
DTXSID40198692
AKOS015917695
(4-pentylphenyl) 4-methylbenzoate
4-Pentylphenyl-4'-methyl benzoate
4-Pentylphenyl 4-methylbenzoate
EINECS 256-683-2
4-Pentylphenyl p-toluate
SCHEMBL3624271
p-Amylphenyl p-toluate
4-pentylphenyl p-toluate
665754_ALDRICH
AC1O54ZD
p-Pentylphenyl p-methylbenzoate
SureCN3624271
4-pentylphenyl-4'-methylbenzoate
Benzoic acid, 4-methyl-, 4-pentylphenyl ester
4-methylbenzoic acid-4'-(n-pentyl)phenol ester

MDL Number

MFCD01076322

FAQ

What regulatory guidelines apply to 4-Pentylphenyl 4-methylbenzoate (CAS: 50649-59-7)?

4-Pentylphenyl 4-methylbenzoate (CAS: 50649-59-7) falls under the jurisdiction of the GHS for classification as a substance. It is regulated under REACH in the European Union, requiring registration if manufactured or imported in quantities above one tonne per year. FDA and EPA may also have specific requirements for its use in cosmetics or pesticides, focusing on safety data and environmental impact assessments.

Are there alternatives to 4-Pentylphenyl 4-methylbenzoate (CAS: 50649-59-7) in synthesis?

Alternative reagents for synthesizing compounds similar to 4-Pentylphenyl 4-methylbenzoate include 4-Hexylphenyl 4-methylbenzoate and 4-Ethylphenyl 4-methylbenzoate. These compounds can serve as viable alternatives due to their similar structural and functional properties. Additionally, other benzoates such as 4-Octylphenyl 4-methylbenzoate can be explored based on specific application needs.

What is the market or research trend for 4-Pentylphenyl 4-methylbenzoate (CAS: 50649-59-7)?

The market for 4-Pentylphenyl 4-methylbenzoate is growing due to its use in fragrance and flavor applications. Research trends focus on its potential in pharmaceuticals and cosmetics. Market trends indicate an increasing demand in the personal care and perfumery industries. Emerging studies are exploring its biodegradability and eco-friendly alternatives.

How should waste containing 4-Pentylphenyl 4-methylbenzoate (CAS: 50649-59-7) be handled?

Waste containing 4-Pentylphenyl 4-methylbenzoate should be collected in appropriate containers and disposed of through professional waste disposal services. Incineration is a common method, but ensure it meets environmental regulations. For environmental protection, consider recycling or encapsulation techniques. Always consult local hazardous waste regulations to ensure compliance.