CAS No.6972-61-8,2,4-DIMETHOXYCINNAMIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	6972-61-8
Name:	2,4-DIMETHOXYCINNAMIC ACID
Article Data:	11

Formula:	C₁₁H₁₂O₄
Molecular Weight:	208.214
Synonyms:	Cinnamicacid, 2,4-dimethoxy- (6CI,7CI,8CI);2,4-Dimethoxycinnamic acid;NSC 62137;3-(2,4-dimethoxyphenyl)prop-2-enoic acid;2',4'-dimethoxycinnamic acid;
EINECS:	230-208-9
Density:	1.203 g/cm³
Melting Point:	192-194°C
Boiling Point:	384.4 °C at 760 mmHg
Flash Point:	151.8 °C
Appearance:	off white powder
Risk Codes:	36/37/38
Safety:	26-36/37/39
PSA:	55.76000
LogP:	1.80160

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Specification

The 2-Propenoic acid, 3-(2,4-dimethoxyphenyl)-, with the CAS registry number 6972-61-8 and EINECS registry number 230-208-9, has the systematic name of 3-(2,4-dimethoxyphenyl)prop-2-enoic acid. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of this chemical is C₁₁H₁₂O₄.

The physical properties of 2-Propenoic acid, 3-(2,4-dimethoxyphenyl)- are as following: (1)ACD/LogP: 2.24; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.78; (4)ACD/LogD (pH 7.4): -0.96; (5)ACD/BCF (pH 5.5): 1.03; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 13.63; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 44.76 Å²; (13)Index of Refraction: 1.573; (14)Molar Refractivity: 57.06 cm³; (15)Molar Volume: 173 cm³; (16)Polarizability: 22.62×10^-24cm³; (17)Surface Tension: 43.8 dyne/cm; (18)Density: 1.203 g/cm³; (19)Flash Point: 151.8 °C; (20)Enthalpy of Vaporization: 66.77 kJ/mol; (21)Boiling Point: 384.4 °C at 760 mmHg; (22)Vapour Pressure: 1.35E-06 mmHg at 25°C.

You should be cautious while dealing with this chemical. It irritates eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C=Cc1ccc(OC)cc1OC
(2)InChI: InChI=1/C11H12O4/c1-14-9-5-3-8(4-6-11(12)13)10(7-9)15-2/h3-7H,1-2H3,(H,12,13)
(3)InChIKey: YIKHDPHTFYWYJV-UHFFFAOYAL

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD	intraperitoneal	> 250mg/kg (250mg/kg)	BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) BEHAVIORAL: ATAXIA BEHAVIORAL: REGIDITY	Indian Journal of Pharmaceutical Sciences. Vol. 49, Pg. 77, 1987.