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CAS No.: | 60125-24-8 |
---|---|
Name: | FEMA 3181 |
Article Data: | 29 |
Molecular Structure: | |
Formula: | C10H10O2 |
Molecular Weight: | 162.188 |
Synonyms: | 2-Propenal,3-(2-methoxyphenyl)-, (E)-;(2E)-3-(2-Methoxyphenyl)-2-propenal;(E)-2-Methoxycinnamaldehyde;(E)-3-(2-Methoxyphenyl)-2-propenal;trans-2-Methoxycinnamaldehyde;trans-o-Methoxycinnamaldehyde; |
EINECS: | 216-131-3 |
Density: | 1.068g/cm3 |
Melting Point: | 44-46ºC |
Boiling Point: | 334.8 °C at 760 mmHg |
Flash Point: | 134.4 °C |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-37/39 |
PSA: | 26.30000 |
LogP: | 1.90730 |
The 2-Propenal,3-(2-methoxyphenyl)-, (2E)-, with CAS registry number 60125-24-8, belongs to the following product categories: (1)Aldehydes; (2)C10 to C21; (3)Carbonyl Compounds. It has the systematic name of (2E)-3-(2-methoxyphenyl)prop-2-enal. And the chemical formula of this chemical is C10H10O2. What's more, its EINECS is 216-131-3.
Physical properties of 2-Propenal,3-(2-methoxyphenyl)-, (2E)-: (1)ACD/LogP: 2.13; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.13; (4)ACD/LogD (pH 7.4): 2.13; (5)ACD/BCF (pH 5.5): 24.42; (6)ACD/BCF (pH 7.4): 24.42; (7)ACD/KOC (pH 5.5): 342.75; (8)ACD/KOC (pH 7.4): 342.75; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.559; (14)Molar Refractivity: 49 cm3; (15)Molar Volume: 151.7 cm3; (16)Polarizability: 19.42×10-24cm3; (17)Surface Tension: 37.6 dyne/cm; (18)Density: 1.068 g/cm3; (19)Flash Point: 134.4 °C; (20)Enthalpy of Vaporization: 57.78 kJ/mol; (21)Boiling Point: 334.8 °C at 760 mmHg; (22)Vapour Pressure: 0.000125 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
The 2-Propenal,3-(2-methoxyphenyl)-, (2E)- irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact 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\C=C\c1ccccc1OC
(2)InChI: InChI=1/C10H10O2/c1-12-10-7-3-2-5-9(10)6-4-8-11/h2-8H,1H3/b6-4+
(3)InChIKey: KKVZAVRSVHUSPL-GQCTYLIABC
(4)Std. InChI: InChI=1S/C10H10O2/c1-12-10-7-3-2-5-9(10)6-4-8-11/h2-8H,1H3/b6-4+
(5)Std. InChIKey: KKVZAVRSVHUSPL-GQCTYLIASA-N