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安全信息

S9652

Sigma-Aldrich

黄樟素

≥97%

别名:

4-烯丙基-1,2-亚甲基二氧基苯, 5-烯丙基-1,3-苯并二噁茂

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About This Item

经验公式（希尔记法）:
C10H10O2
CAS号:
94-59-7
分子量:
162.19
Beilstein:
136380
EC 号:
202-345-4
MDL编号:
MFCD00005841
UNSPSC代码:
12352200
PubChem化学物质编号:
24899851
NACRES:
NA.25

蒸汽压

1 mmHg ( 63.8 °C)

质量水平

200

方案

≥97%

颜色

yellow

折射率

n20/D 1.537 (lit.)

沸点

232-234 °C (lit.)

mp

11.2 °C (lit.)

密度

1.095 g/mL at 25 °C (lit.)

应用

metabolomics
vitamins, nutraceuticals, and natural products

SMILES字符串

C=CCc1ccc2OCOc2c1

InChI

1S/C10H10O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h2,4-6H,1,3,7H2

InChI key

ZMQAAUBTXCXRIC-UHFFFAOYSA-N

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相关类别

一般描述

Safrole is used as a counter irritant and for treating parasitic infections.

应用

Safrole has been used to investigate the role of aldehyde dehydrogenase 3A1 (ALDH3A1) in conferring cisplatin resistance to head and neck squamous cell carcinoma (HNSCC).

生化/生理作用

Safrole is one of the vital food‐borne phytotoxins. It is present in various natural products such as spices including anise, basil, nutmeg and pepper. It exhibits cytotoxic effect in human tongue squamous carcinoma SCC‐4 cells by promoting apoptosis via mitochondria‐ and caspase‐dependent signal pathways.
黄樟素是在黄樟根和槟榔嚼块中发现的天然基因毒性化合物。它是致肝癌物，并且黄樟素-DNA 加合物还见于槟榔消费者的口腔癌。黄樟素的代谢产物与 DNA 形成加合物，并且会诱导染色体畸变和姐妹染色单体交换。

其他说明

黄樟油的主要成分

象形图

Health hazardExclamation mark
GHS08,GHS07

警示用语：

Danger

危险分类

Acute Tox. 4 Oral - Carc. 1B - Muta. 2 - Skin Irrit. 2

储存分类代码

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

WGK

WGK 3

闪点(°F)

212.0 °F - closed cup

闪点(°C)

100 °C - closed cup

个人防护装备

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

法规信息

监管及禁止进口产品

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分析证书(COA)

Lot/Batch Number
0000331885
0000331884
0000331885
0000331884
BCCH4334

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Safrole induces cell death in human tongue squamous cancer SCC-4 cells through mitochondria-dependent caspase activation cascade apoptotic signaling pathways
FS Yu, et al.
Environmental Toxicology, 27(7), 433-444 (2012)
Targeting aldehyde dehydrogenase activity in head and neck squamous cell carcinoma with a novel small molecule inhibitor
Kim J, et al.
Oncotarget, 8(32), 52345-52345 (2017)
Chapter 3-Families of compounds that occur in essential oils
Essential Chemistry for Aromatherapy, 41-77 (2008)
Le Su et al.
Toxicology letters, 217(2), 129-136 (2012-12-29)
Safrole-2',3'-oxide (SFO) is the major electrophilic metabolite of safrole (4-allyl-1, 2-methylenedioxybenzene), a natural plant constituent found in essential oils of numerous edible herbs and spices and in food containing these herbs, such as pesto sauce, cola beverages and bologna sausages.
Erryana Martati et al.
Toxicological sciences : an official journal of the Society of Toxicology, 128(2), 301-316 (2012-05-17)
A physiologically based biokinetic (PBBK) model for the alkenylbenzene safrole in humans was developed based on in vitro- and in silico-derived kinetic parameters. With the model obtained, the time- and dose-dependent formation of the proximate and ultimate carcinogenic metabolites, 1-hydroxysafrole
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