08010

Supelco

Safrole

certified reference material, TraceCERT®

Synonym(s):
5-Allyl-1,3-benzodioxole, 4-Allyl-1,2-methylenedioxybenzene
Empirical Formula (Hill Notation):
C10H10O2
CAS Number:
Molecular Weight:
162.19
Beilstein/REAXYS Number:
136380
EC Number:
MDL number:
PubChem Substance ID:
NACRES:
NA.24

Quality Level

grade

certified reference material
TraceCERT®

vapor pressure

1 mmHg ( 63.8 °C)

application(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.)

Featured Industry

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 (ISO Guide 34). 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 Sigma-Aldrich Co. LLC

Pictograms

Exclamation markHealth hazard

Signal Word

Danger

Hazard Statements

RIDADR

UN 3082 9 / PGIII

WGK Germany

WGK 3

Flash Point(F)

212.0 °F - closed cup

Flash Point(C)

100 °C - closed cup

M Jin et al.
Toxicology, 290(2-3), 312-321 (2011-10-26)
In order to investigate a medium-term animal model using reporter gene transgenic rodents in which general toxicity, genotoxicity and carcinogenicity are evaluated, F344 gpt delta rats were given a diet containing 0.1% and 0.5% (a carcinogenic dose) safrole for 13...
M-J Fan et al.
Human & experimental toxicology, 31(9), 898-904 (2012-04-26)
Safrole, a component of piper betle inflorescence, is a documented rodent hepatocarcinogen and inhibits bactericidal activity and the release of superoxide anion (O(2-)) by polymorphonuclear leukocytes (PMNs). In the present study, we investigated the effects of safrole on immune responses...
YanChun Zhao et al.
Gene, 509(1), 85-92 (2012-08-28)
In a previous study, we found that at low concentrations, safrole oxide (SFO) could induce vascular endothelial cell (VEC) transdifferentiation into neuron-like cells; however, whether SFO could induce bone-marrow mesenchymal stem cell (BMSC) neural differentiation was unknown. Here, we found...
Roberto Fernández de la Pradilla et al.
Organic letters, 14(12), 3068-3071 (2012-05-29)
The Overman rearrangement of allylic sulfinyl trichloroacetimidates affords sulfinyl trichloroacetamides with high stereoselectivity and excellent yields. Bis-allylic substrates lead to amido 2-sulfinyl butadiene derivatives in excellent yields, with total chemo- and diastereoselectivity. The Diels-Alder cycloaddition of related dienes is controlled...
Mario Thevis et al.
Methods in molecular biology (Clifton, N.J.), 952, 301-312 (2012-10-27)
The elucidation of metabolic pathways and the detection of emerging therapeutics potentially enhancing athletic performance are of paramount importance to doping control authorities to protect the integrity of elite sports. A new drug candidate belonging to the family of the...

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