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S9652

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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关于此项目

经验公式（希尔记法）:
C10H10O2
化学文摘社编号:
94-59-7
分子量:
162.19
UNSPSC Code:
12352200
NACRES:
NA.25
PubChem Substance ID:
24899851
EC Number:
202-345-4
Beilstein/REAXYS Number:
136380
MDL number:
MFCD00005841
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vapor pressure

1 mmHg ( 63.8 °C)

Quality Segment

200

assay

≥97%

color

yellow

refractive index

n20/D 1.537 (lit.)

bp

232-234 °C (lit.)

mp

11.2 °C (lit.)

density

1.095 g/mL at 25 °C (lit.)

application(s)

metabolomics
vitamins, nutraceuticals, and natural products

SMILES string

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

General description

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

Application

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).

Biochem/physiol Actions

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。

Other Notes

黄樟油的主要成分

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pictograms

Health hazardExclamation mark
GHS08,GHS07

signalword

Danger

Hazard Classifications

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

存储类别

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

wgk

WGK 3

flash_point_f

212.0 °F - closed cup

flash_point_c

100 °C - closed cup

ppe

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

法规信息

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历史批次信息供参考:

分析证书(COA)

Lot/Batch Number
0000492681
0000492681
0000463475
0000463475
0000446305

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商品

DNA Damage and Repair

DNA damage and repair mechanism is vital for maintaining DNA integrity. Damage to cellular DNA is involved in mutagenesis, the development of cancer among others.

Carcinogenesis and Epigenetics

Cancer research has revealed that the classical model of carcinogenesis, a three step process consisting of initiation, promotion, and progression, is not complete.

DNA损伤和修复

DNA损伤和修复机制对于维持DNA完整性至关重要。细胞DNA的损伤与突变、癌症发展等有关。

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)
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全球贸易项目编号

货号GTIN
S9652-50ML04061836961626
S9652-100ML04061837729553
S9652-500ML04061837729560