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Hexyl benzoate

Hexyl benzoate structure

Hexyl benzoate 

structure
  • CAS No:

    6789-88-4

  • Formula:

    C13H18O2

  • Chemical Name:

    Hexyl benzoate

  • Synonyms:

    Benzoic acid,hexyl ester;Hexyl benzoate;n-Hexyl benzoate;1-Hexyl benzoate;Hexyl alcohol,benzoate

  • Categories:

    Cosmetic Ingredient  >  Perfuming

Description

Hexyl benzoate has a woody-green, piney, balsamic odor Hexyl Benzoate is a liquid with a balsamic, green, melon-like odor. It is used in perfumery.


Hexyl benzoate is a clear colorless liquid. (NTP, 1992)|colourless oily liquid with a woody, green, piney, balsamic odour


Hexyl benzoate is a clear colorless liquid. (NTP, 1992)|Hexyl benzoate is a benzoate ester.

Hexyl benzoate Basic Attributes

206.28

206.28

2048117

229-856-5

VR3C36EKJR

DTXSID9025403

2916310090

Characteristics

26.3

4.9

Hexyl benzoate is a clear colorless liquid. (NTP, 1992)

0.971 g/cm3 @ Temp: 25 °C

272 °C @ Press: 770 Torr

>230 °F

1.495

INSOL IN WATER; SOL IN ALCOHOL, ACETONE

Keep in a cool, dry, dark location in a tightly sealed container or cylinder. Keep away from incompatible materials, ignition sources and untrained individuals. Secure and label area. Protect containers/cylinders from physical damage.

32 mm Hg at 72° F ; 47 mm Hg at 124° F; 81 mm Hg at 167° F (NTP, 1992)

7.1

CONVERSION FACTOR: 8.42 MG/CU M= 1 PPM

Insoluble in water.

Esters, Sulfate Esters, Phosphate Esters, Thiophosphate Esters, and Borate Esters

HEXYL BENZOATE is an ester. Esters react with acids to liberate heat along with alcohols and acids. Strong oxidizing acids may cause a vigorous reaction that is sufficiently exothermic to ignite the reaction products. Heat is also generated by the interaction of esters with caustic solutions. Flammable hydrogen is generated by mixing esters with alkali metals and hydrides.

Safety Information

NONH for all modes of transport

2

38-36/38

36-60-37-26-23

DH1490000

P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, P362

H315

This chemical is probably combustible. (NTP, 1992)

Not Classified

Fires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)

SMALL SPILLS AND LEAKAGE: If you spill this chemical, FIRST REMOVE ALL SOURCES OF IGNITION. Then, use absorbent paper to pick up all liquid spill material. Your contaminated clothing and absorbent paper should be sealed in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with 60-70% ethanol followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned. STORAGE PRECAUTIONS: You should store this material at ambient temperatures. (NTP, 1992)

RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)

Drug Information

SYMPTOMS: Symptoms of exposure to this compound may include mild skin and eye irritation. ACUTE/CHRONIC HAZARDS: This compound is a mild skin and eye irritant. When heated to decomposition it emits acrid smoke and fumes. (NTP, 1992)

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop. SKIN: IMMEDIATELY flood affected skin with water while removing and isolating all contaminated clothing. Gently wash all affected skin areas thoroughly with soap and water. If symptoms such as redness or irritation develop, IMMEDIATELY call a physician and be prepared to transport the victim to a hospital for treatment. INHALATION: IMMEDIATELY leave the contaminated area; take deep breaths of fresh air. If symptoms (such as wheezing, coughing, shortness of breath, or burning in the mouth, throat, or chest) develop, call a physician and be prepared to transport the victim to a hospital. Provide proper respiratory protection to rescuers entering an unknown atmosphere. Whenever possible, Self-Contained Breathing Apparatus (SCBA) should be used; if not available, use a level of protection greater than or equal to that advised under Protective Clothing. INGESTION: DO NOT INDUCE VOMITING. If the victim is conscious and not convulsing, give 1 or 2 glasses of water to dilute the chemical and IMMEDIATELY call a hospital or poison control center. Be prepared to transport the victim to a hospital if advised by a physician. If the victim is convulsing or unconscious, do not give anything by mouth, ensure that the victim's airway is open and lay the victim on his/her side with the head lower than the body. DO NOT INDUCE VOMITING. IMMEDIATELY transport the victim to a hospital. (NTP, 1992)

Hexyl benzoate Use and Manufacturing

Methods of Manufacturing

ESTERIFICATION OF BENZOIC ACID WITH N-HEXYL ALCOHOL

Uses

Hexyl benzoate is used as a fragrance for soaps, perfumes, and creams.

Production

(1979) PROBABLY GREATER THAN 4.54X10+5 GRAMS|(1981) No Data

Benzoic acid, hexyl ester: ACTIVE

SEVERAL JASMINE ABSOLUTES (OIL) SAMPLES OF DIFFERENT ORIGIN WERE STUDIED BY GLASS CAPILLARY GAS CHROMATOGRAPHY & BY GLASS CAPILLARY GAS CHROMATOGRAPHY-MASS SPECTROMETRY. ONLY QUANTITATIVE DIFFERENCES WERE OBSERVED. THERE ARE ONLY 15 MAJOR COMPONENTS. ABOUT 100 MINOR CONSTITUENTS WERE IDENTIFIED AFTER FRACTIONATION BY PARTIAL EVAPORATION, PREPARATIVE GAS CHROMATOGRAPHY & CHEM GROUP SEPARATION. N-HEXYL BENZOATE WAS IDENTIFIED AS A CONSTITUENT IN JASMINE ABSOLUTES.

Food additives -> Flavoring Agents

Flavoring Agents

Computed Properties

Molecular Weight:206.28
XLogP3:4.9
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:7
Exact Mass:206.130679813
Monoisotopic Mass:206.130679813
Topological Polar Surface Area:26.3
Heavy Atom Count:15
Complexity:171
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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