乙酰基异丁香酚

乙酰基异丁香酚用途

Isoeugenol acetate 是一种肉豆蔻,丁香和肉桂的精油成分,对某些代谢酶如乙酰胆碱酯酶 (AChE) 酶 (IC50=77 nM; Ki=16 nM),α-糖苷酶 (IC50=19.25 nM; Ki=21 nM) 和 α-淀粉酶 (IC50=411.5 nM) 具有良好的抑制作用。 Isoeugenol acetate 用于医疗和化妆品工业,具有抗氧化,抗癌,抗菌和抗炎特性。

乙酰基异丁香酚名称

[ CAS 号 ]:
93-29-8

[ 中文名 ]:
乙酸异丁香酚酯

[ 英文名 ]:
Acetylisoeugenol

[中文别名 ]:

[英文别名 ]:

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

乙酰基异丁香酚生物活性

[ 描述 ]:

[ 相关类别 ]:

研究领域 >> 癌症

研究领域 >> 炎症/免疫

信号通路 >> 神经信号通路 >> 疼痛

[ 靶点 ]

IC50: 77 nM (AChE), 19.25 nM (α-glycosidase), 411.5 nM (α-amylase)[1] Ki: 16 nM (AChE), 21 nM (α-glycosidase)[1]

[参考文献]

[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.

乙酰基异丁香酚物理化学性质

[ 密度 ]:
1.1±0.1 g/cm3

[ 沸点 ]:
283.0±20.0 °C at 760 mmHg

[ 熔点 ]:
79-81 °C(lit.)

[ 分子式 ]:
C₁₂H₁₄O₃

[ 分子量 ]:
206.238

[ 闪点 ]:
113.9±16.4 °C

[ 精确质量 ]:
206.094299

[ PSA ]:
35.53000

[ LogP ]:
2.54

[ 蒸汽压 ]:
0.0±0.6 mmHg at 25°C

[ 折射率 ]:
1.539

[ 储存条件 ]:
库房通风低温干燥

乙酰基异丁香酚MSDS

详细MSDS(安全技术说明书)

乙酰基异丁香酚毒性和生态

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)

乙酰基异丁香酚安全信息

[ 符号 ]:

GHS07

[ 信号词 ]:
Warning

[ 危害声明 ]:
H315-H319-H335

[ 警示性声明 ]:
P261-P305 + P351 + P338

[ 个人防护装备 ]:
dust mask type N95 (US);Eyeshields;Gloves

[ 危害码 (欧洲) ]:
Xi:Irritant

[ 风险声明 (欧洲) ]:
R36/37/38

[ 安全声明 (欧洲) ]:
S26-S36

[ 危险品运输编码 ]:
NONH for all modes of transport

[ WGK德国 ]:
2

[ RTECS号 ]:
SL7940000

乙酰基异丁香酚制备

将异丁香酚(iso-Euegnol)与乙酐在带空气冷凝器的反应罐中沸腾3h，然后蒸去乙酸及残余的乙酐，即得固体状物，再用乙醇重结晶精制而得。

乙酰基异丁香酚文献

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...

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