ChemicalBook CAS DataBase List 93-28-7

93-28-7

Name	EUGENOL ACETATE
CAS	93-28-7
EINECS(EC#)	202-235-6
Molecular Formula	C12H14O3
MDL Number	MFCD00026191
Molecular Weight	206.24
MOL File	93-28-7.mol

Synonyms

1,3,4-EUGENOL ACETATE 1-ACETOXY-2-METHOXY-4-ALLYLBENZENE 4-ALLYL-2-METHOXYPHENOL ACETATE 4-ALLYL-2-METHOXYPHENYL ACETATE ACETOEUGENOL ACETYL EUGENOL EUGENOL ACETATE EUGENYL ACETATE FEMA 2469 PHENOL, 4-ALLYL-2-METHOXY:ACETATE 1-acetoxy-4-allyl-2-methoxy-benzene 2-methoxy-4-(2-propenyl)-phenoacetate 2-methoxy-4-(2-propenyl)-phenol,acetate 4-allyl-2-methoxy-phenoacetate Aceteugenol aceticacid4-allyl-2-methoxy-phenylester eugenyl Phenol,2-methoxy-4-(2-propenyl)-,acetate EUGENYL ACETATE 98+% FCC EUGENOL ACETATE 98+%

Chemical Properties

Appearance	liquid
Melting point	26°C
Boiling point	281-286 °C(lit.)
density	1.079 g/mL at 25 °C(lit.)
vapor pressure	0.041Pa at 20℃
FEMA	2469
refractive index	n20/D 1.518(lit.)
Fp	230 °F
storage temp.	under inert gas (nitrogen or Argon) at 2-8°C
solubility	Chloroform (Sparingly), Ethyl Acetate (Slightly), Methanol (Slightly)
form	Colourless to Light Yellow Oil to Semi-Solid
color	White or Colorless to Light yellow
Odor	at 100.00 %. fresh sweet woody clove floral carnation malt spice
Stability:	Stable. Combustible. Incompatible with strong oxidizing agents.
biological source	synthetic
Odor Type	spicy
Water Solubility	407mg/L at 20℃
JECFA Number	1531
Major Application	cleaning products cosmetics flavors and fragrances food and beverages personal care
Cosmetics Ingredients Functions	FRAGRANCE
InChI	1S/C12H14O3/c1-4-5-10-6-7-11(15-9(2)13)12(8-10)14-3/h4,6-8H,1,5H2,2-3H3
InChIKey	SCCDQYPEOIRVGX-UHFFFAOYSA-N
SMILES	COc1cc(CC=C)ccc1OC(C)=O
LogP	2.8 at 25℃
CAS DataBase Reference	93-28-7(CAS DataBase Reference)
NIST Chemistry Reference	Phenol, 2-methoxy-4-(2-propenyl)-, acetate(93-28-7)
EPA Substance Registry System	Phenol, 2-methoxy-4-(2-propenyl)-, acetate (93-28-7)

Safety Data

Symbol(GHS)	GHS07
Signal word	Warning
Hazard statements	H302-H317
Precautionary statements	P261-P264-P270-P280-P301+P312-P302+P352
Hazard Codes	Xn
Risk Statements	R22:Harmful if swallowed. R38:Irritating to the skin. less more
Safety Statements	S36:Wear suitable protective clothing . less more
WGK Germany	2
RTECS	SJ4550000
TSCA	TSCA listed
REACH Registrations	Active
HS Code	29147000
Storage Class	10 - Combustible liquids
Hazard Classifications	Acute Tox. 4 Oral Skin Sens. 1B
Safety Profile	Moderately toxic by ingestion. A skin irritant. Combustible liquid. When heated to decomposition it emits acrid smoke and irritating fumes. See also EUGENOL, ALLYL COMPOUNDS, and ESTERS. less more
Toxicity	The acute oral LD₅₀ value in rats was reported as 1.67 g/kg (Jenner, Hagan, Taylor, Cook & Fitzhugh, 1964) and as 2.6 g/kg (2.3-2.9 g/kg) (Moreno, 1972b). The acute dermal LD₅₀ value in rabbits exceeded 5 g/kg (Moreno, 1972a). less more

Raw materials And Preparation Products

Hazard Information

Chemical Properties

Eugenol Acetate occurs in clove oil, together with eugenol. It is a crystalline solid (mp 29°C) or yellowish liquid with a slightly fruity, clove odor. Eugenol acetate is prepared by acetylation of eugenol with acetic anhydride and is used in floral compositions to accentuate floral, spicy characters.

Chemical Properties

Eugenyl acetate has a characteristic odor reminiscent of clove oil, with a burning, aromatic favor.

Chemical Properties

liquid

Occurrence

Reported found in the essential oils of Laurus nobilis, clove buds and leaves, cassia leaf and cinnamon leaf, root and bark

Uses

Eugenol Acetate is a constituent of Clove oil, an essential oil from the clove plant, Syzygium aromaticum. Clove oil is a natural analgaesic and antiseptic used primarily in dentistry for its main ingredient Eugenol. Clove oil can also be purchased in pharmacies over the counter, as a home remedy for dental pain relief, mainly toothache; it is also often found in the aromatherapy section of health food stores.

Application

Mild and sweet-spicy, balsamic-fruity odour, reminiscent of carnation. Earthy-fresh notes or leafy-floral notes are not uncommon. Used in perfumes to emphasize floralness in carnation, along with iso-eugenol, Amyl oxy-iso-eugenol, etc. Fresher than these, but also milder. Not stable in white soap or alkali. It is in flavors for berry, fruit, mint, spice, and vanilla types.

Definition

ChEBI: Acetyleugenol is a member of phenols and a benzoate ester.

Preparation

By direct acetylation of eugenol using acetic anhydride.

Flammability and Explosibility

Notclassified

Spectrum Detail

Well-known Reagent Company Product Information

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