4-Octylbenzoic acid

Basic Information

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CAS Number

3575-31-3

Molecular Formula

C15H22O2

Molecular Weight

234.34 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

97-98 °C

Boiling Point

361.43°C (estimate)

Water Solubility

Soluble in methanol, hot hexane, hot ethanol and 2-propanol and toluene. Insoluble in water.

Flash Point

172.6°C

Refractive Index

1.5262 (estimate)

SMILES

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CCCCCCCCC1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C15H22O2/c1-2-3-4-5-6-7-8-13-9-11-14(12-10-13)15(16)17/h9-12H,2-8H2,1H3,(H,16,17)

InChIKey

ZQLDNJKHLQOJGE-UHFFFAOYSA-N

LogP

4.287800000000003

Topological Polar Surface Area

37.3 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

205

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

4-n-Octylbenzoic acid
4-09-00-01962 (Beilstein Handbook Reference)
HMS547C04
MFCD00042649
NSC173066
4-n-OctylbenzoicAcid
4-Octylbenzoicacid
SCHEMBL503611
Benzoic acid, 4-octyl-
EN300-1588378
BENZOIC ACID, p-OCTYL-
NSC 173066
UNII-PWH5I1J38K
p-n-Octyl benzoic acid
FT-0619330
NS00029911
CHEMBL3273770
AS-9143
CS-W010336
4-Octylbenzoic acid
O0137
AKOS004908305
EINECS 222-692-5
BRN 1954607
4-Octylbenzoic acid, puriss., liquid crystal, >=99.0% (T)
4-Octylbenzoic acid, 99%
3575-31-3
p-Octylbenzoic acid
CCG-41619
A874522
NSC-173066

MDL Number

MFCD00042649

Customs Code

2916399090

FAQ

What regulatory guidelines apply to 4-Octylbenzoic acid (CAS: 3575-31-3)?

4-Octylbenzoic acid (CAS: 3575-31-3) is subject to regulatory guidelines such as GHS classification, which categorizes it as a skin and eye irritant. In Europe, it is regulated under REACH for safety data sheets and registration. FDA and EPA have specific requirements for its handling, storage, and disposal, ensuring compliance with environmental protection standards.

Are there alternatives to 4-Octylbenzoic acid (CAS: 3575-31-3) in synthesis?

There are alternatives to 4-Octylbenzoic acid in synthesis, such as other substituted benzoic acids or their esters. Common alternatives include 2-Octylbenzoic acid and octylbenzoic acid. These can be used as substitutes based on the specific application requirements and availability.

What is the market or research trend for 4-Octylbenzoic acid (CAS: 3575-31-3)?

The market for 4-Octylbenzoic acid is growing due to its application in cosmetics, pharmaceuticals, and as a preservative. Research trends focus on its use in skin care products and as an antibacterial agent. Market trends show increasing demand, particularly in emerging economies where there is a growing interest in natural and synthetic preservatives.

How should waste containing 4-Octylbenzoic acid (CAS: 3575-31-3) be handled?

Waste containing 4-Octylbenzoic acid should be collected in a sealed container and disposed of according to local regulations. Professional waste disposal services or incineration can be used for safe disposal. Environmental protection measures include proper labeling and handling to prevent contamination and ensure worker safety during disposal processes.