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| CAS No.: | 6789-88-4 |
|---|---|
| Name: | Hexyl benzoate |
| Molecular Structure: | |
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| Formula: | C13H18 O2 |
| Molecular Weight: | 206.285 |
| Synonyms: | 1-Hexylbenzoate; Hexyl alcohol, benzoate; Hexyl benzoate; n-Hexyl benzoate |
| EINECS: | 229-856-5 |
| Density: | 0.98 |
| Boiling Point: | 286.7 ºC at 760 mmHg |
| Flash Point: | >110 ºC |
| Solubility: | 15.1mg/L at 24℃ |
| Appearance: | Clear colorless liquid. |
| Hazard Symbols: | R38:Irritating to skin.; |
| Risk Codes: | 38 |
| Safety: | Mildly toxic by ingestion and skin contact. A skin and eye irritant. When heated to decomposition it emits acrid smoke and fumes. See also ESTERS. |
| PSA: | 26.30000 |
| LogP: | 3.42370 |
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Chemistry
Chemistry informtion about N-Hexylbenzoate (CAS NO.6789-88-4) is:
IUPAC Name: Hexyl Benzoate
Synonyms: 1-Hexylbenzoate ; Hexylester Kyseliny Benzoove ; Hexylesterkyselinybenzoove ; N-Hexyl Benzoate ; Benzoic Acid Hexyl Ester ; Benzoic Acid N-Hexyl Ester ; Hexyl Benzoate ; Fema 3691
Product Categories: Alphabetical Listings ; Flavors and Fragrances ; G-H
MF: C13H18O2
MW: 206.28
EINECS: 229-856-5
Density: 0.982 g/cm3
Flash Point: 120.7 °C
Boiling Point: 286.7 °C at 760 mmHg
Vapour Pressure: 0.0026 mmHg at 25°C
Enthalpy of Vaporization: 52.58 kJ/mol
Refractive Index: n20/D 1.493(lit.)
BRN: 2048117
FEMA: 3691
Following is the molecular structure of N-Hexylbenzoate (CAS NO.6789-88-4) is:
Uses
N-Hexylbenzoate (CAS NO.6789-88-4) can be used as fragrance, eg, for perfumes, soaps, detergents & creams.
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| rabbit | LD50 | skin | 21mL/kg (21mL/kg) | AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 4, Pg. 119, 1951. | |
| rat | LD50 | oral | 12300mg/kg (12300mg/kg) | AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 4, Pg. 119, 1951. |
Consensus Reports
Reported in EPA TSCA Inventory.
Safety Profile
Mildly toxic by ingestion and skin contact. A skin and eye irritant. When heated to decomposition it emits acrid smoke and fumes. See also ESTERS.
Risk Statements:
R38:Irritating to skin.
Safety Statements:
S36:Wear suitable protective clothing.
WGK Germany:2
RTECS: DH1490000
Specification
N-Hexylbenzoate (CAS NO.6789-88-4) is clear colorless liquid.It is insoluble in water. Also, it 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. It is also generated by the interaction of esters with caustic solutions. Flammable hydrogen is generated by mixing esters with alkali metals and hydrides.And,it is probably combustible.
First Aid Measures:
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 immediatey call a hospital or poison control center. Be prepared to transport the victim to a hospital if advised by a physician.
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.
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.
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.
Handling and Storage:
Storage: 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.
Handling: All chemicals should be considered hazardous. Avoid direct physical contact. Use appropriate, approved safety equipment. Untrained individuals should not handle this chemical or its container. Handling should occur in a chemical fume hood.