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329606

Sigma-Aldrich

Isosafrol

mixture of cis and trans

Synonym(s):

1,2-Methylenedioxy-4-propenylbenzene

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About This Item

Empirical Formula (Hill Notation):
C10H10O2
CAS Number:
120-58-1
Molecular Weight:
162.19
Beilstein:
82640
EC Number:
204-410-2
MDL number:
MFCD00005838
UNSPSC Code:
12352100
PubChem Substance ID:
24859803
NACRES:
NA.22

form

liquid

refractive index

n20/D 1.573 (lit.)

bp

77-86 °C/3.5 mmHg (lit.)

density

1.12 g/mL at 25 °C (lit.)

SMILES string

C\C=C\c1ccc2OCOc2c1

InChI

1S/C10H10O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h2-6H,7H2,1H3/b3-2+

InChI key

VHVOLFRBFDOUSH-NSCUHMNNSA-N

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General description

Isosafrol is also referred as 1,2-methylenedioxy-4(1-propenyl)benzene. It is an important intermediate for the synthesis of drugs like L-DOPA. Peracid oxidation of isosafrole yields isomers of 2,4-dimethyl-3,5-bis(3,4-methylenedioxyphenyl)tetrahydrofuran. Encapsulated vanadyl compounds in Y-zeolite pores catalyzed isosafrol oxidation under microwave irradiation was reported.

Application

Isosafrol was used in preparation of 1-(3,4-methylenedioxyphenyl)-2-propanone (MDP-2-P or PMK).

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H302,H315

Hazard Classifications

Acute Tox. 4 Oral - Skin Irrit. 2

Storage Class Code

10 - Combustible liquids

WGK

WGK 3

Flash Point(F)

235.4 °F - closed cup

Flash Point(C)

113 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

FSL

Group 4: Flammable liquids
Type 3 petroleums
Hazardous rank III
Water insoluble liquid

JAN Code

329606-VAR:
329606-100ML:
329606-BULK:
329606-25ML:

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Certificates of Analysis (COA)

Lot/Batch Number
MKCN0830
MKCJ8878
MKCJ2170
MKBZ0058V
MKBS2389V

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P H Jellinck et al.
The Journal of steroid biochemistry and molecular biology, 46(6), 791-798 (1993-12-01)
The effect of indole-3-carbinol (IC), an anticarcinogen present in cruciferous vegetables, to alter the metabolism of 4-androstenedione (AD) by female rat liver microsomes was investigated and compared to that of its main gastric conversion product, diindolylmethane (DIM) as well as
M J Leaver et al.
Molecular marine biology and biotechnology, 2(6), 338-345 (1993-12-01)
A full length cDNA coding for cytochrome P450 1A1 was isolated from a plaice liver cDNA library constructed in lambda ZAPII. The deduced amino acid sequence of this cDNA was 78% homologous to that of rainbow trout P450 1A1 and
E I Shvartz et al.
Voprosy meditsinskoi khimii, 44(2), 167-171 (1998-06-23)
The transcription level of CYP2B1/2 gene in the liver of Sprague-Dawley (SD), Brattleboro (BL) and Wistar (W) rats treated with isosafrol (IS), Arochlor 1254 (AC), phenobarbital (PB) and triphenildioxane (TPD) was studied. The quantity of CYP2B1/2 mRNA was assessed by
D Ronisz et al.
Comparative biochemistry and physiology. Part C, Pharmacology, toxicology & endocrinology, 121(1-3), 289-296 (1999-02-11)
The CYP1A enzyme in liver of rainbow trout (Oncorhynchus mykiss) and eelpout (Zoarces viviparus) was induced by intraperitoneal injections of isosafrole (ISF), beta-naphthoflavone (BNF), retene, 3,3',4,4'-tetrachlorobiphenyl (TCB), Clophen A50 and combinations of these compounds. The livers were sampled 5 days
M H Slawson et al.
Toxicology letters, 85(1), 29-34 (1996-04-01)
Within the selective induction of phase II enzymes following treatment with dipyridyls or N-heterocyclic analogs of phenanthrene, strong correlations (r > or = 0.70) are observed between the increase of microsomal epoxide hydrolase (mEH) activity and UDP-glucuronosyltransferase (UGT) activities towards
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