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CAS No. 3541-42-2 Density 1.174 g/cm3
PSA 37.30000 LogP 1.60430
Solubility N/A Melting Point 126 °C
Formula C9H8O2 Boiling Point 311.3 °C at 760 mmHg
Molecular Weight 148.161 Flash Point 131.8 °C
Transport Information N/A Appearance N/A
Safety 26-36/37 Risk Codes 22-36-43
Molecular Structure Molecular Structure of 3541-42-2 (2-HYDROXYCINNAMALDEHYDE) Hazard Symbols Xn

Cinnamaldehyde,o-hydroxy- (6CI,7CI,8CI);2-Hydroxycinnamaldehyde;2-Hydroxycinnamic aldehyde;NSC 114588;o-Hydroxycinnamaldehyde;3-(2-Hydroxyphenyl)prop-2-enal;

Article Data 12

2-Propenal,3-(2-hydroxyphenyl)- Specification

The 2-Propenal,3-(2-hydroxyphenyl)-, with the CAS registry number 3541-42-2, is also known as 2-Hydroxycinnamaldehyde. This chemical's molecular formula is C9H8O2 and molecular weight is 148.16. What's more, its systematic name is 3-(2-Hydroxyphenyl)prop-2-enal. Its classification code is Drug / Therapeutic Agent. It is stable at common pressure and temperature, and it should be sealed and stored in a ventilated and dry place. Besides, it should be stored at room temperature.

Physical properties of 2-Propenal,3-(2-hydroxyphenyl)- are: (1)ACD/LogP: 2.14; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.14; (4)ACD/LogD (pH 7.4): 2.13; (5)ACD/BCF (pH 5.5): 24.92; (6)ACD/BCF (pH 7.4): 24.31; (7)ACD/KOC (pH 5.5): 347.77; (8)ACD/KOC (pH 7.4): 339.24; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.618; (14)Molar Refractivity: 44.21 cm3; (15)Molar Volume: 126.1 cm3; (16)Polarizability: 17.52×10-24 cm3; (17)Surface Tension: 49.2 dyne/cm; (18)Density: 1.174 g/cm3; (19)Flash Point: 131.8 °C; (20)Enthalpy of Vaporization: 57.43 kJ/mol; (21)Boiling Point: 311.3 °C at 760 mmHg; (22)Vapour Pressure: 0.00031 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C(=C1)C=CC=O)O
(2)InChI: InChI=1S/C9H8O2/c10-7-3-5-8-4-1-2-6-9(8)11/h1-7,11H

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 unreported 750mg/kg (750mg/kg)   Pharmaceutical Chemistry Journal Vol. 19, Pg. 191, 1985.

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