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Isoeugenyl acetate

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Name

Isoeugenyl acetate

EINECS 202-236-1
CAS No. 93-29-8 Density 1.073 g/cm3
PSA 35.53000 LogP 2.65360
Solubility N/A Melting Point 79-81 °C(lit.)
Formula C12H14O3 Boiling Point 283 °C at 760 mmHg
Molecular Weight 206.241 Flash Point 113.9 °C
Transport Information N/A Appearance N/A
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 93-29-8 (1-ACETOXY-2-METHOXY-4-(1-PROPENYL)BENZENE) Hazard Symbols IrritantXi
Synonyms

Isoeugenol,acetate (6CI);Phenol, 2-methoxy-4-(1-propenyl)-, acetate (9CI);Phenol,2-methoxy-4-propenyl-, acetate (7CI,8CI);2-Methoxy-4-propenylphenyl acetate;4-Acetoxy-3-methoxy-1-propenylbenzene;Acetylisoeugenol;NSC 46121;O-Acetylisoeugenol;

Article Data 25

Isoeugenyl acetate Chemical Properties

Molecular Formula: C12H14O3
Molar mass: 206.2378 g/mol
EINECS: 202-236-1
Density: 1.073 g/cm3
Flash Point: 113.9 °C
Index of Refraction: 1.539
Boiling Point: 283 °C at 760 mmHg
Vapour Pressure: 0.00324 mmHg at 25°C
Melting point: 79-81 °C(lit.)
Solubility: Soluble in ethanol, ether and chloroform, a few dissolve in glycerin and water
Product categories of Isoeugenyl acetate (93-29-8): Alphabetical Listings;Flavors and Fragrances
Structure of Isoeugenyl acetate (93-29-8):
   
XLogP3-AA: 2.4
H-Bond Donor: 0
H-Bond Acceptor: 3
Systematic Name: [2-Methoxy-4-[(E)-prop-1-enyl]phenyl] acetate 
SMILES: O=C(Oc1ccc(cc1OC)/C=C/C)C 
InChI: InChI=1/C12H14O3/c1-4-5-10-6-7-11(15-9(2)13)12(8-10)14-3/h4-8H,1-3H3/b5-4+ 
InChIKey: IUSBVFZKQJGVEP-SNAWJCMRBS 
Std. InChI: InChI=1S/C12H14O3/c1-4-5-10-6-7-11(15-9(2)13)12(8-10)14-3/h4-8H,1-3H3/b5-4+ 
Std. InChIKey: IUSBVFZKQJGVEP-SNAWJCMRSA-N

Isoeugenyl acetate Uses

 Isoeugenyl acetate (93-29-8) can be used of use of scent for soap flavor. Commonly it is used in the preparation of floral flavor and fragrance as sweet herbs agent.It is also often used for the fixed-scent fragrance in department of flavor of carnation and French-style fixed-scent fragrance , vanillin, and the proposed agent, and as approximation with the clove fragrance.

Isoeugenyl acetate Production

Take Iso-Euegnol with Acetic anhydride in the reaction with air condenser for boiling 3h, and then steamed out the Acetic acid and residual Acetic anhydride , and then has the re-crystallization with ethanol to derive Isoeugenyl acetate (93-29-8).

Isoeugenyl acetate 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. 13, Pg. 819, 1975.
rat LD50 oral 3450mg/kg (3450mg/kg)   Food and Cosmetics Toxicology. Vol. 13, Pg. 819, 1975.

Isoeugenyl acetate Consensus Reports

Reported in EPA TSCA Inventory.

Isoeugenyl acetate Safety Profile

Moderately toxic by ingestion. Combustible liquid. When heated to decomposition it emits acrid smoke and irritating fumes.
 

Hazard Codes: Xi
Risk Statements:
36:  Irritating to the eyes
37:  Irritating to the respiratory system
38:  Irritating to the skin
Safety Statements:
26:  In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36:  Wear suitable protective clothing

Isoeugenyl acetate Specification

 Isoeugenyl acetate (93-29-8) also can be called Isoeugenol acetate ; Phenol, 2-methoxy-4-[(1E)-1-propen-1-yl]-, acetate ; 2-Methoxy-4-[(1E)-prop-1-en-1-yl]phenyl acetate ; 2-Methoxy-4-[(1E)-1-propenyl]phenyl acetate and Phenol, 2-methoxy-4-(1-propenyl)-, acetate, (E)- .

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