Octyl Benzyl Phthalate

Basic Information

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CAS Number

1248-43-7

Molecular Formula

C23H28O4

Molecular Weight

368.5 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

Solubility

Insuluble (4.1E-4 g/L) (25 ºC),

SMILES

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CCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C23H28O4/c1-2-3-4-5-6-12-17-26-22(24)20-15-10-11-16-21(20)23(25)27-18-19-13-8-7-9-14-19/h7-11,13-16H,2-6,12,17-18H2,1H3

InChIKey

WHHSHXMIKFVAEK-UHFFFAOYSA-N

LogP

5.5609000000000055

Topological Polar Surface Area

52.60000000000001 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

428

Synonyms & References

English

octyl benzyl phthalate
2-O-benzyl 1-O-octyl benzene-1,2-dicarboxylate
NS00044925
DTXSID00873993
Benzyl octyl phthalate
1,2-Benzenedicarboxylic acid, 1-octyl 2-(phenylmethyl) ester
SCHEMBL587133
AKOS030239824
EINECS 215-000-8
1248-43-7
68515-40-2
1,2-Benzenedicarboxylicacid, 1-octyl 2-(phenylmethyl) ester
Octyl Benzyl Phthalate
Octyl Benzyl Phthala
Phthalic acid benzyl octyl ester

FAQ

What are the physical and chemical properties of Octyl Benzyl Phthalate (CAS: 1248-43-7)?

Octyl Benzyl Phthalate (CAS: 1248-43-7) is a colorless to light yellow liquid with a slightly aromatic odor. Its molecular weight is approximately 256.33 g/mol. It has a high boiling point of around 325°C and a low melting point of -41°C. Soluble in common organic solvents like ethanol and acetone, but slightly soluble in water. Chemically, it is stable under normal conditions but can be hydrolyzed in strong bases or acids.

How is Octyl Benzyl Phthalate (CAS: 1248-43-7) typically synthesized?

Octyl Benzyl Phthalate (CAS: 1248-43-7) is synthesized through the esterification of phthalic anhydride with a mixture of octyl and benzyl alcohols in the presence of an acid catalyst like sulfuric acid. The reaction is carried out at a temperature range of 100-120°C, with an optimal yield of 85-90%. The selectivity towards the desired product is high, and the process is relatively straightforward and cost-effective.

What industries use Octyl Benzyl Phthalate (CAS: 1248-43-7)?

Octyl Benzyl Phthalate (CAS: 1248-43-7) is widely used in the plastic industry as a plasticizer, enhancing the flexibility and plasticity of polyvinyl chloride (PVC). It is also utilized in the cosmetics and fragrance industry as a skin conditioning agent and fixative. Additionally, it finds applications in the coatings and adhesives sector, providing improved adhesion and flexibility.

What precautions should be taken when handling Octyl Benzyl Phthalate (CAS: 1248-43-7)?

When handling Octyl Benzyl Phthalate (CAS: 1248-43-7), it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood. Spills should be immediately cleaned up using absorbent materials, followed by thorough washing of the spill area. In case of skin or eye contact, immediately rinse with copious amounts of water. For detailed safety information, always refer to the Safety Data Sheet (SDS).