4-Allyl-1,2-dimethoxybenzene - CAS 93-15-2

Catalog:	BB040794
Product Name:	4-Allyl-1,2-dimethoxybenzene
CAS:	93-15-2
Synonyms:	1,2-dimethoxy-4-prop-2-enylbenzene
Application:	cytotoxicity and genotoxicity; antinociceptive effect

Technical Data

IUPAC Name:	1,2-dimethoxy-4-prop-2-enylbenzene
Description:	Methyleugenol isolated from the herbs of Syringa Linn. It has elaxant and antispasmodic actions on guinea-pig isolated ileum.
Molecular Weight:	178.23
Molecular Formula:	C11H14O2
Canonical SMILES:	COC1=C(C=C(C=C1)CC=C)OC
InChI:	InChI=1S/C11H14O2/c1-4-5-9-6-7-10(12-2)11(8-9)13-3/h4,6-8H,1,5H2,2-3H3
InChI Key:	ZYEMGPIYFIJGTP-UHFFFAOYSA-N
Boiling Point:	248 °C
Melting Point:	-4°C
Flash Point:	210 °F
Purity:	98 %
Density:	1.035 g/cm³
Solubility:	less than 1 mg/mL at 66 °F
Appearance:	Oil
Storage:	Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
Decomposition:	When heated to decomposition it emits acrid smoke and irritating fumes
MDL:	MFCD00008652
LogP:	2.43230
Quality Standard:	Enterprise Standard
Refractive Index:	1.533-1.535
Stability:	Stable. Combustible. Incompatible with strong oxidizing agents.
Vapor Pressure:	0.02 mmHg at 68 °F ; 1 mmHg at 185.0 °F

GHS Hazard Statement:	H302 (99.94%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P201, P202, P261, P264, P270, P272, P280, P281, P301+P312, P302+P352, P308+P313, P321, P330, P333+P313, P363, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
CN-113425706-A	Application of methyl eugenol in preparation of medicine for relieving renal ischemia reperfusion injury	20210812
JP-2021152083-A	Pest control method	20210702
JP-2021152084-A	Pest control method	20210702
JP-2021152085-A	Pest control method	20210702
CN-113498783-A	Mite-killing missible oil and preparation method and application thereof	20210628

PMID	Publication Date	Title	Journal
32234424	20200601	Identification of a transcriptomic signature of food-relevant genotoxins in human HepaRG hepatocarcinoma cells	Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association
28326452	20171001	Methyleugenol DNA adducts in human liver are associated with SULT1A1 copy number variations and expression levels	Archives of toxicology
28818686	20171001	Methyleugenol and selected oxidative metabolites affect DNA-Damage signalling pathways and induce apoptosis in human colon tumour HT29 cells	Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association
26542539	20161101	Methyleugenol and oxidative metabolites induce DNA damage and interact with human topoisomerases	Archives of toxicology
26011634	20160201	Onset of hepatocarcinogen-specific cell proliferation and cell cycle aberration during the early stage of repeated hepatocarcinogen administration in rats	Journal of applied toxicology : JAT

Complexity:	156
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	178.099379685
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	178.099379685
Rotatable Bond Count:	4
Topological Polar Surface Area:	18.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.5