Butyl Benzoate

Basic Information

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CAS Number

136-60-7

Molecular Formula

C11H14O2

Molecular Weight

178.23 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

-22°C

Boiling Point

249 °C

Solubility

0.06g/l

Refractive Index

n20/D 1.498(lit.)

SMILES

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CCCCOC(=O)c1ccccc1

InChI

InChI=1S/C11H14O2/c1-2-3-9-13-11(12)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3

InChIKey

XSIFPSYPOVKYCO-UHFFFAOYSA-N

LogP

2.6435000000000013

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

148

Safety Information

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GHS Hazard Pictograms

H302

H315

H319

H335

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Toxicity

LD50 orally in rats: 5.14 g/kg (Smyth)

Synonyms & References

English

Butyl benzoate
Butyl benzoateneat
n-Butyl benzoate
1-butyl benzoate
4-butyl benzoate
Anthrapole AZ
Benzoic Acid Butyl Ester
Benzoic acid n-butyl ester
butyl p-benzoate
Dai Cari XBN
n-Butyl
FEMA 8752
Butylbenzoat
Hipochem B-3-M
daicarixbn
anthrapoleaz
1-butylbenzoate
Benzoic acid, butyl ester
Butylester kyseliny benzoove
Butylbenzoate
Butylester kyseliny benzoove [Czech]
Butyl ester of benzoic acid
1TGZ0D0O8I
XSIFPSYPOVKYCO-UHFFFAOYSA-N
Butyl benzoate, 98+%
n_butyl benzoate
benzoicacidbutylestet
H
butyl benzoate
DAI CARI XBN
Anthrapole az

MDL Number

MFCD00009439

Customs Code

29163100

FAQ

What is Butyl Benzoate (CAS: 136-60-7)?

Butyl benzoate (CAS: 136-60-7) is an ester compound commonly used in various industries. Its chemical formula is C12H18O2, and it is a colorless, oily liquid with a mild, pleasant odor. It is soluble in organic solvents and has low solubility in water. Butyl benzoate is known for its solubilizing properties and is used as a fragrance component and a solvent in many applications.

What are the main uses of Butyl Benzoate (CAS: 136-60-7)?

Butyl benzoate (CAS: 136-60-7) is widely used in pharmaceuticals as a solubilizing agent and excipient. It also finds applications in the cosmetic and fragrance industries due to its pleasant aroma. In research, it serves as a chemical intermediate. Additionally, it is used in the food industry as a flavoring agent and in industrial settings as a solvent for resins and coatings.

Is Butyl Benzoate (CAS: 136-60-7) safe?

Butyl benzoate (CAS: 136-60-7) is generally considered safe when used properly. It has low toxicity and is not classified as a hazardous substance under standard safety regulations. However, it should be handled with care, using appropriate protective equipment such as gloves and goggles. Inhalation and skin contact should be avoided, and proper ventilation is recommended during use.

How should Butyl Benzoate (CAS: 136-60-7) be stored?

Butyl benzoate (CAS: 136-60-7) should be stored in a cool, dry, and well-ventilated place, away from direct sunlight. It is stable under normal storage conditions but should be kept in a sealed container to prevent evaporation. Avoid exposure to moisture and heat to maintain its quality and effectiveness over time.