CAS No.140-67-0,1 -Methoxy-4-(2-propenyl) benzene Suppliers

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Basic Information

Molecular Structure:
CAS No.:	140-67-0
Name:	1 -Methoxy-4-(2-propenyl) benzene
Article Data:	132

Formula:	C₁₀H₁₂O
Molecular Weight:	148.205
Synonyms:	1-Allyl-4-methoxybenzene;1-Allyl-4-methoxybenzol;p-Allylphenyl methyl ether;1-Methoxy-4-(prop-2-en-1-yl)benzene;Isoanethole;p-Allylmethoxybenzene;Esdragon;Allylphenyl methyl ether, p-;4-Allylanisole;
EINECS:	205-427-8
Density:	0.938 g/cm³
Melting Point:	28-35 °C
Boiling Point:	216 °C at 760 mmHg
Flash Point:	81.1 °C
Solubility:	Soluble in ethanol and chloroform, insoluble in water
Appearance:	colourless liquid with an aniseed smell
Hazard Symbols:	Xn
Risk Codes:	22-38-43
Safety:	26-36/37
PSA:	9.23000
LogP:	2.42370

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Consensus Reports

Reported in EPA TSCA Inventory.

Specification

The Benzene,1-methoxy-4-(2-propen-1-yl)-, with the CAS registry number 140-67-0, is also known as p-Allylphenyl methyl ether. Its EINECS number is 205-427-8. This chemical's molecular formula is C₁₀H₁₂O and molecular weight is 148.20. What's more, its systematic name is 1-methoxy-4-(prop-2-en-1-yl)benzene. Its classification codes are: (1)Mutation data; (2)Natural Product; (3)Skin / Eye Irritant; (4)Tumor data. It is stable at common pressure and temperature, and it should be sealed and stored in a cool and dry place. It is used in perfumes and as a food additive for flavor. It is described in the flavors trade as "strong, sweet, tarragon".

Physical properties of Benzene,1-methoxy-4-(2-propen-1-yl)- are: (1)ACD/LogP: 3.15; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.15; (4)ACD/LogD (pH 7.4): 3.15; (5)ACD/BCF (pH 5.5): 146.23; (6)ACD/BCF (pH 7.4): 146.23; (7)ACD/KOC (pH 5.5): 1234.09; (8)ACD/KOC (pH 7.4): 1234.09; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.505; (13)Molar Refractivity: 46.83 cm³; (14)Molar Volume: 157.8 cm³; (15)Polarizability: 18.56×10^-24cm³; (16)Surface Tension: 29.9 dyne/cm; (17)Density: 0.938 g/cm³; (18)Flash Point: 81.1 °C; (19)Enthalpy of Vaporization: 43.39 kJ/mol; (20)Boiling Point: 216 °C at 760 mmHg; (21)Vapour Pressure: 0.21 mmHg at 25°C.

Preparation: this chemical can be prepared by prop-2-en-1-ol and (4-methoxy-phenyl)-magnesium bromide by heating. This reaction will need reagent CH₃MgBr and solvents diethyl ether, benzene. This reaction will also need catalyst ((C₆H₅)₃P)₂NiCl₂. The yield is about 85%.

Benzene,1-methoxy-4-(2-propen-1-yl)- can be prepared by prop-2-en-1-ol and (4-methoxy-phenyl)-magnesium bromide by heating

Uses of Benzene,1-methoxy-4-(2-propen-1-yl)-: it can be used to produce 2-fluoro-1-iodo-3-(4-methoxyphenyl)propane at the temperature of 0 °C. It will need reagents Bu₄NH₂F₃, N-iodosuccinimide and solvent CH₂Cl₂ with the reaction time of 2 hours. The yield is about 83%.

Benzene,1-methoxy-4-(2-propen-1-yl)- can be used to produce 2-fluoro-1-iodo-3-(4-methoxyphenyl)propane at the temperature of 0 °C

When you are using this chemical, please be cautious about it as the following:
It is harmful if swallowed and is irritating to skin. It may cause sensitisation by skin contact. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing and gloves.

You can still convert the following datas into molecular structure:
(1)SMILES: COc1ccc(CC=C)cc1
(2)Std. InChI: InChI=1S/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3,5-8H,1,4H2,2H3
(3)Std. InChIKey: ZFMSMUAANRJZFM-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	1260mg/kg (1260mg/kg)	BEHAVIORAL: ANTIPSYCHOTIC	Comptes Rendus Hebdomadaires des Seances, Academie des Sciences. Vol. 246, Pg. 1465, 1958.
mouse	LD50	oral	1250mg/kg (1250mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: COMA	Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964.
rabbit	LD50	skin	> 5gm/kg (5000mg/kg)		Food and Cosmetics Toxicology. Vol. 14, Pg. 603, 1976.
rat	LD50	intraperitoneal	1030mg/kg (1030mg/kg)	BEHAVIORAL: ANTIPSYCHOTIC	Comptes Rendus Hebdomadaires des Seances, Academie des Sciences. Vol. 246, Pg. 1465, 1958.
rat	LD50	oral	1230mg/kg (1230mg/kg)		Food and Cosmetics Toxicology. Vol. 14, Pg. 603, 1976.