Skip to Content
Merck
All Photos(1)

Key Documents

View All Documentation

08010

Supelco

Safrole

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

Synonym(s):

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

Sign Into View Organizational & Contract Pricing
All Photos(1)

About This Item

Empirical Formula (Hill Notation):
C10H10O2
CAS Number:
94-59-7
Molecular Weight:
162.19
Beilstein:
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

Looking for similar products? Visit Product Comparison Guide

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

Signal Word

Danger

Hazard Statements

H302,H315,H341,H350

Hazard Classifications

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

Storage Class Code

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

Choose from one of the most recent versions:

Certificates of Analysis (COA)

Lot/Batch Number
BCCG7808
BCCG1919
BCBV9943
BCBM6926V
BCBH8303V

Don't see the Right Version?

If you require a particular version, you can look up a specific certificate by the Lot or Batch number.

Search for a COA

Already Own This Product?

Find documentation for the products that you have recently purchased in the Document Library.

Visit the Document Library

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
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
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
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
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
View All Related Papers

Our team of scientists has experience in all areas of research including Life Science, Material Science, Chemical Synthesis, Chromatography, Analytical and many others.

Contact Technical Service