329606
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:
Molecular Weight:
162.19
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
204-410-2
Beilstein/REAXYS Number:
82640
MDL number:
Form:
liquid
InChI key
VHVOLFRBFDOUSH-NSCUHMNNSA-N
InChI
1S/C10H10O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h2-6H,7H2,1H3/b3-2+
SMILES string
C\C=C\c1ccc2OCOc2c1
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.)
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).
signalword
Warning
hcodes
Hazard Classifications
Acute Tox. 4 Oral - Skin Irrit. 2
Storage Class
10 - Combustible liquids
wgk
WGK 3
flash_point_f
235.4 °F - closed cup
flash_point_c
113 °C - closed cup
ppe
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
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M Cox et al.
Forensic science international, 179(1), 44-53 (2008-05-30)
In this work, isomers of 2,4-dimethyl-3,5-bis(3,4-methylenedioxyphenyl)tetrahydrofuran (11) are presented as chemical markers formed during the peracid oxidation of isosafrole. The stereochemical configurations of the major and next most abundant diastereoisomer are presented. Also described is the detection of isomers of
M A Sarkar et al.
Drug metabolism and disposition: the biological fate of chemicals, 22(6), 827-834 (1994-11-01)
Polycyclic aromatic hydrocarbons present in cigarette smoke induce cytochromes P4501A1 and P4501A2. These isozymes are of toxicological importance because they convert several environmental pollutants to reactive intermediates that form covalent adducts with cellular DNA resulting in mutations and/or malignant transformations.
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
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
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
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