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6-甲基香豆素

6-甲基香豆素用途

6-Methylcoumarin 是一种广泛用于化妆品的合成香料。

6-甲基香豆素名称

[ CAS 号 ]:
92-48-8

[ 中文名 ]:
6-甲基香豆素

[ 英文名 ]:
6-Methylcoumarin

[中文别名 ]:

[英文别名 ]:

6-Methyl-2H-1-benzopyran-2-one
6-Methyl-2H-chromen-2-one
6-methylchromen-2-one
2H-1-Benzopyran-2-one, 6-methyl-
6-Methylcoumarin
T66 BOVJ H1
EINECS 202-158-8
MFCD00006875
6 METHYL COUMARIN

6-甲基香豆素生物活性

[ 描述 ]:

6-Methylcoumarin 是一种广泛用于化妆品的合成香料。

[ 相关类别 ]:

信号通路 >> 其他 >> 其他

天然产物 >> 苯丙酸类

研究领域 >> 其他

[体外研究]

据报道,6-甲基香豆素在表皮组织和细胞培养光毒性试验模型中几乎不具有非光毒性。用6-甲基香豆素(1-105nM)和/或UVA(5Jcm-2)处理HaCaT细胞,并在处理后4小时通过免疫荧光染色和蛋白质印迹检测γ-H2AX。 6-Methylcoumarin在UVA照射下明显产生γ-H2AX阳性细胞,浓度为100 nM [1]。

[参考文献]

[1]. Toyooka T, et al. Phosphorylation of histone H2AX is a powerful tool for detecting chemical photogenotoxicity. J Invest Dermatol. 2011 Jun;131(6):1313-21.

[相关活性小分子]

6-甲基香豆素物理化学性质

[ 密度 ]:
1.2±0.1 g/cm3

[ 沸点 ]:
304.6±21.0 °C at 760 mmHg

[ 熔点 ]:
73-76 °C(lit.)

[ 分子式 ]:
C₁₀H₈O₂

[ 分子量 ]:
160.169

[ 闪点 ]:
124.3±19.5 °C

[ 精确质量 ]:
160.052429

[ PSA ]:
30.21000

[ LogP ]:
1.85

[ 外观性状 ]:
白色结晶粉末

[ 蒸汽压 ]:
0.0±0.6 mmHg at 25°C

[ 折射率 ]:
1.583

[ 储存条件 ]:
室温

6-甲基香豆素MSDS

详细MSDS(安全技术说明书)

6-甲基香豆素毒性和生态

CHEMICAL IDENTIFICATION

RTECS NUMBER :: GN7792000

CHEMICAL NAME :: Coumarin, 6-methyl-

CAS REGISTRY NUMBER :: 92-48-8

BEILSTEIN REFERENCE NO. :: 0004222

LAST UPDATED :: 199710

DATA ITEMS CITED :: 10

MOLECULAR FORMULA :: C10-H8-O2

MOLECULAR WEIGHT :: 160.18

WISWESSER LINE NOTATION :: T66 BOVJ H1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: Standard Draize test

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 1680 mg/kg

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

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

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 253 mg/kg

TOXIC EFFECTS :: Behavioral - convulsions or effect on seizure threshold

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

MUTATION DATA

TYPE OF TEST :: Cytogenetic analysis

TEST SYSTEM :: Rodent - hamster Lung

DOSE/DURATION :: 2500 umol/L

REFERENCE :: HEREAY Hereditas (Lund, Sweden). (Gjoerloffsgatan 121, S-261 34 Landskrona, Sweden) V.1- 1947- Volume(issue)/page/year: 69,35,1971 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X5104 No. of Facilities: 12 (estimated) No. of Industries: 1 No. of Occupations: 1 No. of Employees: 24 (estimated)

6-甲基香豆素安全信息

[ 符号 ]:

GHS07, GHS08

[ 信号词 ]:
Danger

[ 危害声明 ]:
H302-H317-H334

[ 警示性声明 ]:
P261-P280-P342 + P311

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

[ 危害码 (欧洲) ]:
Xn:Harmful;

[ 风险声明 (欧洲) ]:
R22;R42/43

[ 安全声明 (欧洲) ]:
S22-S36/37-S45

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

[ WGK德国 ]:
3

[ RTECS号 ]:
GN7792000

[ 海关编码 ]:
2932209090

6-甲基香豆素合成路线

详细合成路线

6-甲基香豆素上下游产品

6-甲基香豆素上游产品

6-甲基香豆素下游产品

6-甲基香豆素制备

由对甲酚与反丁烯二酸作用而得。将72%的硫酸预热至80℃，加入反丁烯二酸与对甲酚的混合物，在160-170℃保温反应3-4h，冷却，倒入碎冰中析出沉淀，过滤。滤液用苯提取，加收苯后将所得粗品进行减压蒸馏而得6-甲基香豆素。或由对高水杨醛和醋酐在乙酸钠存在下缩合制得。

6-甲基香豆素海关

[ 海关编码 ]: 2932209090

[ 中文概述 ]:
2932209090. 其他内酯. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%

[ 申报要素 ]: 品名, 成分含量, 用途

[ Summary ]:
2932209090. other lactones. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

6-甲基香豆素文献

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A kinetic study of the main guaco metabolites using syrup formulation and the identification of an alternative route of coumarin metabolism in humans.

PLoS ONE 10(3) , e0118922, (2015)

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Stable isotope labeling method for the investigation of protein haptenation by electrophilic skin sensitizers.

Toxicol. Sci. 142(1) , 239-49, (2014)

The risk of contact sensitization is a major consideration in the development of new formulations for personal care products. However, developing a mechanistic approach for non-animal risk assessment ...

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