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Basic Information
CAS No.: 102-17-0
Name: ANISYL PHENYLACETATE
Molecular Structure:
Molecular Structure of 102-17-0 (ANISYL PHENYLACETATE)
Formula: C16H16 O3
Molecular Weight: 256.301
Synonyms: Aceticacid, phenyl-, p-methoxybenzyl ester (8CI); Benzyl alcohol, p-methoxy-,phenylacetate; 4-Methoxybenzyl phenylacetate; Anisyl phenylacetate;Phenylacetic acid, p-methoxybenzyl ester; p-Methoxybenzyl phenylacetate
Density: 1.129g/cm3
Boiling Point: 374.8°Cat760mmHg
Flash Point: 157.2°C
Solubility: 512.6mg/L(25 oC)
Hazard Symbols:
Risk Codes: 36/37/38
Safety: Low toxicity by ingestion and skin contact. A skin irritant. See also ESTERS. When heated to decomposition it emits acrid smoke and irritating fumes.
PSA: 35.53000
LogP: 2.98110
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Chemistry

IUPAC Name: (4-Methoxyphenyl)methyl 2-phenylacetate
Synonyms of Anisyl phenylacetate (CAS NO.102-17-0): (4-Methoxyphenyl)methyl benzeneacetate ; Acetic acid, phenyl-, p-methoxybenzyl ester ; Anisyl alpha-toluate ; Benzeneacetic acid, (4-methoxyphenyl)methyl ester ; Phenylacetic acid, p-methoxybenzyl ester ; p-Methoxybenzyl phenylacetate
Product Categories: A-B;Alphabetical Listings;Flavors and Fragrances
CAS NO: 102-17-0                                                               
Molecular Formula: C16H16O3                                                       
Molecular Weight : 256.2964                               
Molecular Structure:
EINECS: 203-010-5
H bond acceptors:  3 
H bond donors:  0 
Freely Rotating Bonds:  6
Polar Surface Area:  35.53Å2 
Index of Refraction:  1.559 
Molar Refractivity:  73.37 cm3 
Molar Volume:  226.9 cm3 
Surface Tension:  41.8 dyne/cm 
Density:  1.129 g/cm3 
Flash Point:  157.2 °C 
Enthalpy of Vaporization:  62.23 kJ/mol 
Boiling Point:  374.8 °C at 760 mmHg 
Vapour Pressure:  8.13E-06 mmHg at 25°C 

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin > 5gm/kg (5000mg/kg)   Food and Cosmetics Toxicology. Vol. 18, Pg. 651, 1980.
rat LD50 oral > 5gm/kg (5000mg/kg)   Food and Cosmetics Toxicology. Vol. 18, Pg. 651

Safety Profile

Hazard Codes: IrritantXi
Risk Statements: 36/37/38
R36/37/38: Anisyl phenylacetate (CAS NO.102-17-0) is irritating to eyes, respiratory system and skin.
Safety Statements: 26-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36: Wear suitable protective clothing.
WGK Germany: 3
RTECS: AJ3000000

Low toxicity by ingestion and skin contact. A skin irritant. See also ESTERS. When Anisyl phenylacetate (CAS NO.102-17-0) is heated to decomposition ,it emits acrid smoke and irritating fumes.