p-Octyloxybenzonitrile

Basic Information

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CAS Number

88374-55-4

Molecular Formula

C15H21NO

Molecular Weight

220.36 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Physical Properties

Melting Point

24-26°C

Boiling Point

171-173 °C2 mm Hg

Density

0.967 g/mL at 25 °C

Flash Point

>230 °F

Refractive Index

n20/D 1.513(lit.)

SMILES

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CCCCCCCCOC1=CC=C(C=C1)C#N

InChI

InChI=1S/C15H21NO/c1-2-3-4-5-6-7-12-17-15-10-8-14(13-16)9-11-15/h8-11H,2-7,12H2,1H3

InChIKey

GFNSBTARZPEIPN-UHFFFAOYSA-N

LogP

4.734320000000005

Topological Polar Surface Area

9.23 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

222

Safety Information

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Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

4-n-Octyloxybenzonitrile
4-octoxybenzonitrile
p-(Octyloxy)benzonitrile
4-(Octyloxy)benzonitrile (ACI)
4-Octoxybenzonitrile
4-Octyloxybenzonitrile
P-(OCTYLOXY)BENZONITRILE
88374-55-4
NS00039260
4-(Octyloxy)benzonitrile #
DTXSID10237007
AS-60003
p-Octyloxybenzonitrile
MFCD00043483
DB-112910
CS-0360186
4-n-Octyloxycyanobenzene
4-(Octyloxy)benzonitrile, 98%
4-(Octyloxy)benzonitrile
SCHEMBL6420383
AKOS009156710

MDL Number

MFCD00043483

Customs Code

2926909090

FAQ

What regulatory guidelines apply to p-Octyloxybenzonitrile (CAS: 88374-55-4)?

p-Octyloxybenzonitrile (CAS: 88374-55-4) is subject to various regulatory guidelines. Under GHS, it is classified as flammable liquid category 2. In Europe, it falls under the scope of the REACH regulation, requiring registration for manufacturers and importers. Additionally, the FDA and EPA have specific requirements for the handling and use of chemicals in consumer and industrial products, including safety data sheets (SDS) and risk assessment reports.

Are there alternatives to p-Octyloxybenzonitrile (CAS: 88374-55-4) in synthesis?

Several alternatives can be used in synthesis as substitutes for p-Octyloxybenzonitrile (CAS: 88374-55-4). Common analogs include octanenitrile and other benzonitriles with different substituents. In some cases, isomers such as 2-methylheptylbenzonitrile can be considered. Alternative reagents like n-decanitrile might also be viable depending on the specific synthetic requirements.

What is the market or research trend for p-Octyloxybenzonitrile (CAS: 88374-55-4)?

The market for p-Octyloxybenzonitrile (CAS: 88374-55-4) shows steady growth, driven by its applications in plasticizers, solvents, and personal care products. Research trends indicate increasing focus on developing safer alternatives due to environmental concerns. Emerging studies explore its use in biodegradable materials and its impact on aquatic ecosystems, aligning with sustainable chemistry practices.

How should waste containing p-Octyloxybenzonitrile (CAS: 88374-55-4) be handled?

Waste containing p-Octyloxybenzonitrile (CAS: 88374-55-4) should be handled according to regulatory guidelines. Waste liquids should be collected in appropriate containers lined with secondary containment to prevent leakage. Incineration or professional waste disposal services are recommended for disposal. Environmental protection precautions include ensuring proper ventilation and wearing protective gear. Always consult the latest safety data sheets (SDS) for specific handling procedures.