CAS 93-29-8|Acetylisoeugenol

Introduction：Basic information about CAS 93-29-8|Acetylisoeugenol, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. Acetylisoeugenol BiologicalActivity
3. Chemical & Physical Properties
4. Toxicological Information
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
5. Safety Information
6. Articles7
7. Synonyms

Common Name	Acetylisoeugenol
CAS Number	93-29-8	Molecular Weight	206.238
Density	1.1±0.1 g/cm3	Boiling Point	283.0±20.0 °C at 760 mmHg
Molecular Formula	C₁₂H₁₄O₃	Melting Point	79-81 °C(lit.)
MSDS	ChineseUSA	Flash Point	113.9±16.4 °C
Symbol	GHS07	Signal Word	Warning

Names

Name	1-Acetoxy-2-methoxy-4-(1-propenyl)benzene
Synonym	More Synonyms

Acetylisoeugenol BiologicalActivity

Description	Isoeugenol acetate, an essential oil constituent of nutmeg, clove, and cinnamon, shows excellent inhibitory effects against some metabolic enzymes such as acetylcholinesterase (AChE) enzymes (IC50=77 nM; Ki=16 nM), α-glycosidase (IC50=19.25 nM; Ki=21 nM), and α-amylase (IC50=411.5 nM). Isoeugenol acetate is used medical and cosmetics industries for its antioxidant, anticancer, antimicrobial and anti-inflammatory properties[1][2].
Related Catalog	Research Areas >>CancerResearch Areas >>Inflammation/ImmunologySignaling Pathways >>Neuronal Signaling >>AChE
Target	IC50: 77 nM (AChE), 19.25 nM (α-glycosidase), 411.5 nM (α-amylase)[1] Ki: 16 nM (AChE), 21 nM (α-glycosidase)[1]
References	[1]. Fevzi Topal.Anticholinergic and antidiabetic effects of isoeugenol from clove (Eugenia caryophylata) oil. International Journal of Food Properties, 22:1,583-592. [2]. Hyldgaard M, et al. Isoeugenol has a non-disruptive detergent-like mechanism of action. Front Microbiol. 2015 Jul 28;6:754.

Chemical & Physical Properties

Density	1.1±0.1 g/cm3
Boiling Point	283.0±20.0 °C at 760 mmHg
Melting Point	79-81 °C(lit.)
Molecular Formula	C₁₂H₁₄O₃
Molecular Weight	206.238
Flash Point	113.9±16.4 °C
Exact Mass	206.094299
PSA	35.53000
LogP	2.54
Vapour Pressure	0.0±0.6 mmHg at 25°C
Index of Refraction	1.539

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: SL7940000

CHEMICAL NAME :: Phenol, 2-methoxy-4-propenyl-, acetate

CAS REGISTRY NUMBER :: 93-29-8

LAST UPDATED :: 199712

DATA ITEMS CITED :: 5

MOLECULAR FORMULA :: C12-H14-O3

MOLECULAR WEIGHT :: 206.26

WISWESSER LINE NOTATION :: 2U1R CO1 DOV1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 3450 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 13,819,1975

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: >5 gm/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 13,819,1975 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 83234 No. of Facilities: 21 (estimated) No. of Industries: 1 No. of Occupations: 2 No. of Employees: 394 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 83234 No. of Facilities: 7 (estimated) No. of Industries: 1 No. of Occupations: 5 No. of Employees: 1557 (estimated) No. of Female Employees: 276 (estimated)

Safety Information

Symbol	GHS07
Signal Word	Warning
Hazard Statements	H315-H319-H335
Precautionary Statements	P261-P305 + P351 + P338
Personal Protective Equipment	dust mask type N95 (US);Eyeshields;Gloves
Hazard Codes	Xi:Irritant
Risk Phrases	R36/37/38
Safety Phrases	S26-S36
RIDADR	NONH for all modes of transport
WGK Germany	2
RTECS	SL7940000

Articles7

Parallel dual secondary column-dual detection: a further way of enhancing the informative potential of two-dimensional comprehensive gas chromatography.

J. Chromatogr. A. 1360 , 264-74, (2014)

Comprehensive two-dimensional gas chromatography (GC×GC) coupled with Mass Spectrometry (MS) is one of today's most powerful analytical platforms for detailed analysis of medium-to-high complexity sam...

Isoeugenol is an important contact allergen: can it be safely replaced with isoeugenyl acetate?

Contact Dermatitis 41(5) , 272-5, (1999)

The prevalence of contact allergy to the fragrance mix in individuals with eczema is up to 10%. Within the mix, isoeugenol (CAS 97-54-1) is an important individual allergen. Until May 1998, the IFRA (...

Contact allergy to isoeugenol and its derivatives: problems with allergen substitution.

Contact Dermatitis 51(5-6) , 288-91, (2004)

A total of 2261 (808 male, 1453 female) consecutive patients attending contact dermatitis clinics were patch tested to isoeugenol and its derivatives listed in the EU Inventory of Fragrance Ingredient...

Synonyms

2-Methoxy-4-[(1E)-1-propenyl]phenyl acetate

EINECS 202-236-1

2-Methoxy-4-[(1E)-prop-1-en-1-yl]phenyl acetate

Phenol, 2-methoxy-4-[(1E)-1-propen-1-yl]-, acetate

MFCD00026984

2-Methoxy-4-[(1E)-1-propen-1-yl]phenylacetat

2-Methoxy-4-[(1E)-1-propen-1-yl]phenyl acetate

Phenol, 2-methoxy-4-(1-propenyl)-, acetate, (E)-

Acétate de 2-méthoxy-4-[(1E)-1-propèn-1-yl]phényle

1-acetoxy-2-methoxy-4-(1-propenyl)benzene

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