PRODUCTS

BUTYL BENZOATE

BUTYL BENZOATE = BENZOIC ACID, BUTYL ESTER

CAS Number: 136-60-7
EC Number: 205-252-7
MDL number: MFCD00009439
Linear Formula: C6H5COOCH2CH2CH2CH3 / C11H14O2

Butyl benzoate, also known as butyl benzoic acid, is a member of the class of compounds known as benzoic acid esters.
Benzoic acid esters are ester derivatives of benzoic acid.
Butyl benzoate is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa).

Butyl benzoate is a mild, amber, and balsamic tasting compound found in papaya, which makes butyl benzoate a potential biomarker for the consumption of this food product.
Butyl benzoate belongs to the class of organic compounds known as benzoic acid esters.
These are ester derivatives of benzoic acid.

Butyl Benzoate is also a useful reagent in synthesis.
Butyl benzoate is a natural product found in Streptomyces, Hamamelis virginiana, and Spondias mombin with data available.
Butyl benzoate is registered under the REACH Regulation and is manufactured in and / or imported to the European Economic Area, at ≥ 10 to < 100 tonnes per annum.

Butyl benzoate can be used in pressurized equipment.
Non-toxic, biodegradable.
Butyl benzoate acts as a plasticizer and solvent for cellulosic esters and ethers. It has a shelf life of at least 12 months.
Butyl Benzoate is a clear liquid that is soluble in an organic solvent such as alcohol, and insoluble in water.

Production Methods:
Butyl benzoate is formed by the direct esterification of n-butyl alcohol with benzoic acid under azeotropic conditions .

USES and APPLICATIONS of BUTYL BENZOATE:
-Cosmetic Uses:
fragrance
preservatives
-In food industry
-In entomology
-In the lacquer industry

-Butyl benzoate is used as a dye carrier in polyester fibers
-Butyl benzoate is used as a plasticizer
-Butyl benzoate is used as dye carrier for polyester fibers
-Butyl benzoate is used as additive in disinfectants

-Butyl benzoate is used as penetrating agent in pesticide formulations
-Butyl benzoate is used as additive in fermentation of soy sauce
-Butyl benzoate is used as solvent for cellulose ether
-Butyl benzoate is used as perfume ingredient

-Patent for use as selective yellow jacket attractant
-Naturally occurring in palm, papaya, and babaco fruit and in green peas
-Butyl benzoate is a benzoate ester obtained by condensation of benzoic acid and butanol.
Butyl benzoate is used as a perfume ingredient and as a solvent for cellulose ether, a dye carrier for textiles.

-Butyl benzoate has a role as an antimicrobial food preservative, a fragrance and a plant metabolite.
-Preservative in commercial cosmetic lotions
-As involatile solvent, for sampling of isocyanates with silica gel solid phase extraction
-Butyl Benzoate is used as a solvent for cellulose ether, a dye carrier for textiles, and a perfume ingredient .

-Butyl Benzoate has been approved by the FDA as an indirect food additive for use as a component of adhesives.
-Butyl Benzoate has a fruity aroma an is commonly employed in food additives and flavorings.
-Butyl Benzoate is used extensively in the formulation of dye carriers for polyesters, acetates, triacetates, and their blends.

-With proper emulsification, Butyl Benzoate can be used in both atmospheric and pressure equipment without any degradation of Butyl Benzoate's carrier activity.
-With Butyl Benzoate's honey-rose aroma, Butyl Benzoate finds application in foods requiring a blend of flavors including cocoa, honey, tea, chocolate, fruit, nut, butter and rose.

-Butyl acetate is used in the manufacture of lacquers, plastics, photographic films, and artificial leathers.
-Butyl benzoate as an involatile solvent, for the sampling of isocyanates with silica gel solid-phase extraction.
-Butyl benzoate has been used as preservative in commercial cosmetic lotions.
-Butyl Benzoate occurs naturally as a volatile component of various fruits and vegetables.

ALTERNATIVE PARENTS of BUTYL BENZOATE:
-Benzoyl derivatives
-Carboxylic acid esters
-Monocarboxylic acids and derivatives
-Organooxygen compounds
-Organic oxides
-Hydrocarbon derivatives

SUBSTITUENTS of of BUTYL BENZOATE:
-Benzoate ester
-Benzoyl
-Carboxylic acid ester
-Monocarboxylic acid or derivatives
-Carboxylic acid derivative
-Organic oxygen compound
-Organic oxide
-Hydrocarbon derivative
-Organooxygen compound
-Aromatic homomonocyclic compound

PHYSICAL and CHEMICAL PROPERTIES of BUTYL BENZOATE:
Molecular Weight: 178.23
Appearance Form: liquid
Color: colorless
Odor: No data available
Odor Threshold: No data available
pH: No data available
Melting point/freezing point: No data available
Initial boiling point and boiling range: 249 °C - lit.
Flash point: 106 °C - closed cup

Evaporation rate: No data available
Flammability (solid, gas): No data available
Upper/lower flammability or explosive limits: No data available
Vapor pressure: No data available
Vapor density: No data available
Density: 1,01 g/cm3 at 25 °C - lit.
Relative density: No data available
Water solubility: No data available
Partition coefficient: n-octanol/water: No data available

Autoignition temperature: No data available
Decomposition temperature: No data available
Viscosity
Viscosity, kinematic: No data available
Viscosity, dynamic: No data available
Explosive properties: No data available
Oxidizing properties: No data available
Other safety information: No data available

Water Solubility: 0.093 g/L
logP: 3.4
logP: 3.3
logS: -3.3
pKa (Strongest Basic): -6.9
Physiological Charge: 0
Hydrogen Acceptor Count: 1
Hydrogen Donor Count: 0
Polar Surface Area: 26.3 Å²
Rotatable Bond Count: 5
Refractivity: 51.96 m³·mol⁻¹
Polarizability: 20.07 Å³
Number of Rings: 1

Appearance: colorless clear liquid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity: 1.00300 to 1.00900 @ 25.00 °C.
Pounds per Gallon - (est).: 8.346 to 8.396
Refractive Index: 1.49500 to 1.49900 @ 20.00 °C.
Melting Point: -22.00 to -21.00 °C. @ 760.00 mm Hg

Boiling Point: 127.00 °C. @ 20.00 mm Hg
Boiling Point: 249.00 °C. @ 760.00 mm Hg
Acid Value: 1.00 max. KOH/g
Vapor Pressure: 0.022000 mmHg @ 25.00 °C. (est)
Vapor Density: 6.1 ( Air = 1 )
Flash Point: 223.00 °F. TCC ( 106.11 °C. )
logP (o/w): 3.840
Soluble in: alcohol, water, 59 mg/L @ 25 °C (exp)
Insoluble in: water

Min. Purity Spec: 98% (GC)
Physical Form (at 20°C): Colorless to Almost colorless clear liquid
Melting Point: -22°C
Boiling Point: 250°C
Flash Point: 107°C
Density: 1.01
Refractive Index: 1.49
Long-Term Storage: Store long-term in a cool, dry place

ΔfG°: -79.77 kJ/mol
ΔfH°gas: -278.64 kJ/mol
ΔfusH°: 21.07 kJ/mol
ΔvapH°: 51.51 kJ/mol
logPoct/wat: 2.644
Pc: 2778.85 kPa
Tboil: [521.50; 523.45] K
Tc: 763.32 K
Tfus: 250.75 ± 0.30 K
Vc: 0.568 m3/kg-mol

FIRST AID MEASURES of BUTYL BENZOATE:
-Description of first-aid measures:
*General advice:
Consult a physician.
Show this material safety data sheet to the doctor in attendance.

*If inhaled:
If breathed in, move person into fresh air.
Consult a physician.

*In case of skin contact:
Wash off with soap and plenty of water.
Consult a physician.

*In case of eye contact:
Rinse thoroughly with plenty of water for at least 15 minutes and consult a physician.

*If swallowed:
Never give anything by mouth to an unconscious person.
Rinse mouth with water.
Consult a physician.

-Indication of any immediate medical attention and special treatment needed:
No data available

ACCIDENTAL RELEASE MEASURES of BUTYL BENZOATE:
-Personal precautions, protective equipment and emergency procedures:
Use personal protective equipment.

-Environmental precautions:
Do not let product enter drains.
-Methods and materials for containment and cleaning up:
Keep in suitable, closed containers for disposal.

FIRE FIGHTING MEASURES of BUTYL BENZOATE:
-Extinguishing media:
*Suitable extinguishing media:
Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.
-Further information: No data available

EXPOSURE CONTROLS/PERSONAL PROTECTION of BUTYL BENZOATE:
-Control parameters:
--Ingredients with workplace control parameters:
-Exposure controls:
--Personal protective equipment:

*Eye/face protection:
Use safety glasses.
*Skin protection:
Handle with gloves.
Wash and dry hands.

Full contact:
Material: butyl-rubber
Minimum layer thickness: 0,3 mm
Break through time: 480 min
Splash contact:
Material: Nitrile rubber
Minimum layer thickness: 0,4 mm
Break through time: 60 min

-Control of environmental exposure:
Do not let product enter drains.

HANDLING and STORAGE of BUTYL BENZOATE:
-Precautions for safe handling:
*Hygiene measures:
Handle in accordance with good industrial hygiene and safety practice.
Wash hands before breaks and at the end of workday.

-Conditions for safe storage, including any incompatibilities:
*Storage conditions:
Keep container tightly closed in a dry and well-ventilated place.
Store in cool place.

STABILITY and REACTIVITY of BUTYL BENZOATE:
-Reactivity: No data available
-Chemical stability:
Stable under recommended storage conditions.
-Possibility of hazardous reactions: No data available
-Conditions to avoid: No data available

SYNONYMS:
n-Butyl benzoate
Benzoic acid, butyl ester
Benzoic Acid Butyl Ester
1,1-Dimethylethyl benzoate
Anthrapole az
Benzoate butyl ester
Benzoate N-butyl ester
Benzoate, butyl ester
Benzoic acid butyl ester
Benzoic acid N-butyl ester
Benzoic acid n-butyl ester
Benzoic acid, butyl ester
Butyl benzoate
Benzoicacid,butylester
1-Butanol benzoate
1-Butyl benzoate
Butyl benzoate
Anthrapole AZ
benzoic acid butyl ester
Benzoic acid n-butyl ester
Butyl benzoate
Butyl ester of benzoic acid
Butylester kyseliny benzoove
DAI CARI XBN
Hipochem B-3-M
n-Butyl benzoate
Marvanol Carrier BB