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Merck
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08010

Supelco

Safrole

certified reference material, TraceCERT®, Manufactured by: Sigma-Aldrich Production GmbH, Switzerland

Sinónimos:

4-Allyl-1,2-methylenedioxybenzene, 5-Allyl-1,3-benzodioxole

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About This Item

Fórmula empírica (notación de Hill):
C10H10O2
Número de CAS:
94-59-7
Peso molecular:
162.19
Beilstein/REAXYS Number:
136380
EC Number:
202-345-4
MDL number:
MFCD00005841
UNSPSC Code:
41116107
PubChem Substance ID:
329748537
NACRES:
NA.24

grade

certified reference material
TraceCERT®

Quality Level

300

vapor pressure

1 mmHg ( 63.8 °C)

product line

TraceCERT®

manufacturer/tradename

Manufactured by: Sigma-Aldrich Production GmbH, Switzerland

technique(s)

gas chromatography (GC): suitable

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)

cleaning products
cosmetics
food and beverages
personal care

format

neat

storage temp.

2-8°C

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

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General description

This certified reference material (CRM) is produced and certified in accordance with ISO/IEC 17025 and ISO 17034. This CRM is traceable to primary material from an NMI, e.g. NIST or NMIJ.
Certified content by quantitative NMR incl. uncertainty and expiry date are given on the certificate.
Download your certificate at: http://www.sigma-aldrich.com.

Biochem/physiol Actions

Safrole is a naturally-occurring genotoxic compound found in Sassafras root and Areca (betel) quid. It is a hepatocarcinogen, and safrole-DNA adducts have also been seen in oral cancers of Areca users. Metabolites of safrole form adducts with DNA and induce chromasomal aberrations and sister chromatid exchanges.

Packaging

Bottomless glass bottle. Contents are inside inserted fused cone.

Other Notes

Principal constituent of sassafras oil

Legal Information

TraceCERT is a registered trademark of Merck KGaA, Darmstadt, Germany

pictograms

Health hazardExclamation mark
GHS08,GHS07

signalword

Danger

Hazard Classifications

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

Storage Class

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

wgk_germany

WGK 3

flash_point_f

212.0 °F - closed cup

flash_point_c

100 °C - closed cup

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Certificados de análisis (COA)

Lot/Batch Number
BCCG7808
BCCG1919
BCBV9943
BCBM6926V
BCBH8303V

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Chia-Jung Lee et al.
Molecules (Basel, Switzerland), 25(19) (2020-10-11)
Acne is a common skin condition observed in adolescents. Nutmeg (Myristica fragrans Houtt) (MF) is a well-known traditional Chinese medicine; its major toxic components, safrole and myristicin, are rich in essential oils. Essential oils of MF (MFO) were extracted by
Li-Ching Shen et al.
Toxicology letters, 213(3), 309-315 (2012-07-24)
Safrole, a naturally occurring product derived from spices and herbs, has been shown to be associated with the development of hepatocellular carcinoma in rodents. Safrole 2',3'-oxide (SFO), an electrophilic metabolite of safrole, was shown to react with DNA bases to
Héctor Carrasco et al.
Molecules (Basel, Switzerland), 17(1), 1002-1024 (2012-01-21)
Twenty one phenylpropanoids (including eugenol and safrole) and synthetic analogues, thirteen of them new compounds, were evaluated for antifungal properties, first with non-targeted assays against a panel of human opportunistic pathogenic fungi. Some structure-activity relationships could be observed, mainly related
Su-ying Hu et al.
Zhong yao cai = Zhongyaocai = Journal of Chinese medicinal materials, 35(2), 188-194 (2012-07-25)
To analyze the genetic diversity and the volatile components of Asarum sieboldii from seven habitats in Qin-ba region. The genetic diversity of the herb was analyzed by ISSR (inter simple sequence repeat) markers; The relative content volatile components of the
Danielle S Fisher et al.
Therapeutic drug monitoring, 34(4), 415-421 (2012-07-11)
N-Desalkylquetiapine may be a pharmacologically active quetiapine metabolite. However, information on plasma concentrations of N-desalkylquetiapine and other quetiapine metabolites attained during quetiapine therapy is scant. The aim of this study was to investigate plasma concentrations of quetiapine, N-desalkylquetiapine, O-desalkylquetiapine, 7-hydroxyquetiapine
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