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Benzyl acetate

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Benzyl acetate

EINECS 205-399-7
CAS No. 140-11-4 Density 1.055 g/cm3
Solubility practically insoluble in water Melting Point -51 °C
Formula C9H10O2 Boiling Point 213.5 °C at 760 mmHg
Molecular Weight 150.17 Flash Point 102.2 °C
Transport Information Appearance clear colourless liquid
Safety 26-37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 140-11-4 (Benzyl acetate) Hazard Symbols IrritantXi
Synonyms

Acetic acid, phenylmethyl ester;Benzyl acetate (natural);NCI-C06508;Benzylester kyseliny octove [Czech];Phenylmethyl ethanoate;.alpha.-Acetoxytoluene;Acetic acid, benzyl ester;alpha-Acetoxytoluene;Phenylmethyl acetate;Benzyl ethanoate;Natural benzyl acetate;

 

Benzyl acetate Chemical Properties


IUPAC Name: Benzyl acetate 
Empirical Formula: C9H10O2
Molecular Weight: 150.1745
Canonical SMILES: CC(=O)OCC1=CC=CC=C1
InChI: InChI=1S/C9H10O2/c1-8(10)11-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3
InChIKey: QUKGYYKBILRGFE-UHFFFAOYSA-N
EINECS: 205-399-7
Product Categories: FINE Chemical & INTERMEDIATES 
Water Solubility: <0.1 g/100 mL at 23 ºC 
Index of Refraction: 1.505
Molar Refractivity: 42.2 cm3
Molar Volume: 142.2 cm3
Surface Tension: 35.9 dyne/cm
Density: 1.055 g/cm3
Flash Point: 102.2 °C
Enthalpy of Vaporization: 44.98 kJ/mol
Boiling Point: 213.5 °C at 760 mmHg
Vapour Pressure: 0.164 mmHg at 25°C 
Appearance: Colorless liquid with an odor of pears.
Melting Point: -51 °C(lit.)
Classification Code of Benzyl acetate (CAS NO.140-11-4): Human Data; Mutation data; Skin / Eye Irritant; Tumor data

Benzyl acetate Uses

 Benzyl acetate (CAS NO.140-11-4) is used widely in perfumery and cosmetics for its aroma and in flavorings to impart apple and pear flavors. Benzyl acetate is commonly used as bait to attract and collect these bees for study. It is also used as a solvent in plastics and resin, cellulose acetate, nitrate, lacquers, oils,  polishes and inks.

Benzyl acetate Production

 Benzyl acetate (CAS NO.140-11-4) is prepared by esterification of benzyl alcohol, by heating with either an excess of acetic anhydride or acetic acid with mineral acids.
       C6H5CH2OH + CH3CO2H → C6H5CH2OCOCH3
The product is purified by treatment with boric acid and distilled to a purityIn excess of 98%.

Benzyl acetate Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LC50 inhalation 245ppm/8H (245ppm)   AMA Archives of Industrial Health. Vol. 21, Pg. 28, 1960.
cat LDLo skin 10gm/kg (10000mg/kg) BEHAVIORAL: TREMOR

BEHAVIORAL: MUSCLE WEAKNESS

GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS
Journal of Pharmacology and Experimental Therapeutics. Vol. 84, Pg. 358, 1945.
guinea pig LD50 oral 2200mg/kg (2200mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 50(7), Pg. 17, 1985.
guinea pig LDLo subcutaneous 3gm/kg (3000mg/kg)   Archiv fuer Gewerbepathologie und Gewerbehygiene. Vol. 5, Pg. 1, 1933.
human TCLo inhalation 50ppm (50ppm) BEHAVIORAL: ANTIPSYCHOTIC

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

KIDNEY, URETER, AND BLADDER: OTHER CHANGES
"Handbook of Organic Industrial Solvents," 2nd ed., Chicago, National Assoc. of Mutual Casualty Companies, 1961Vol. 2, Pg. 31, 1961.
mouse LCLo inhalation 1300mg/m3/22H (1300mg/m3) BEHAVIORAL: GENERAL ANESTHETIC Archiv fuer Gewerbepathologie und Gewerbehygiene. Vol. 5, Pg. 1, 1933.
mouse LD50 oral 830mg/kg (830mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 50(7), Pg. 17, 1985.
rabbit LD50 oral 2200mg/kg (2200mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 50(7), Pg. 17, 1985.
rabbit LD50 skin > 5gm/kg (5000mg/kg)   Food and Cosmetics Toxicology. Vol. 11, Pg. 875, 1973.
rabbit LDLo subcutaneous 4gm/kg (4000mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Archiv fuer Gewerbepathologie und Gewerbehygiene. Vol. 5, Pg. 1, 1933.
rat LD50 oral 2490mg/kg (2490mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964.

Benzyl acetate Safety Profile

Hazard Codes: IrritantXi
Risk Statements: 36/37/38 
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-37/39 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S37/39:Wear suitable gloves and eye/face protection.
RIDADR: 2810
WGK Germany: 1
RTECS: AF5075000

Benzyl acetate Specification

  Benzyl acetate (CAS NO.140-11-4), its Synonyms are Acetic acid, benzyl ester ; Acetic acid, phenylmethyl ester ; Benzyl ethanoate ; Benzylester kyseliny octove ; Phenylmethyl acetate ; Phenylmethyl ethanoate ; alpha-Acetoxytoluene .

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