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CAS No.: | 144896-51-5 |
---|---|
Name: | 4-BENZYLOXY-3,5-DIMETHYLBENZALDEHYDE |
Article Data: | 11 |
Molecular Structure: | |
Formula: | C16H16O2 |
Molecular Weight: | 240.302 |
Synonyms: | 3,5-Dimethyl-4-benzyloxybenzaldehyde;4-Benzyloxy-3,5-dimethylbenzaldehyde; |
EINECS: | -0 |
Density: | 1.1 g/cm3 |
Melting Point: | 162-163 °C |
Boiling Point: | 384 °C at 760mmHg |
Flash Point: | 169.8 °C |
Appearance: | clear yellow viscous liquid after melting |
Hazard Symbols: | R36/37/38:; |
Risk Codes: | 36/37/38 |
Safety: | 24/25 |
PSA: | 26.30000 |
LogP: | 3.69490 |
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The CAS registry number of Benzaldehyde,3,5-dimethyl-4-(phenylmethoxy)- is 144896-51-5. It belongs to the product categories of Aromatic Aldehydes & Derivatives (substituted); Aldehydes; C10 to C21; Carbonyl Compounds. This chemical's molecular formula is C16H16O2 and molecular weight is 240.3. What's more, its IUPAC name is called 3,5-Dimethyl-4-phenylmethoxybenzaldehyde.
Physical properties about Benzaldehyde,3,5-dimethyl-4-(phenylmethoxy)- are: (1)ACD/LogP: 4.28; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.28; (4)ACD/LogD (pH 7.4): 4.28; (5)ACD/BCF (pH 5.5): 1045.83; (6)ACD/BCF (pH 7.4): 1045.83; (7)ACD/KOC (pH 5.5): 5045.81; (8)ACD/KOC (pH 7.4): 5045.81; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.591; (14) Molar Refractivity: 73.82 cm3; (15)Molar Volume: 218.3 cm3; (16)Polarizability: 29.26×10-24 cm3; (17)Surface Tension: 42.1 dyne/cm; (18)Density: 1.1 g/cm3; (19)Flash Point: 169.8 °C; (20)Enthalpy of Vaporization: 63.26 kJ/mol; (21)Boiling Point: 384 °C at 760 mmHg; (22)Vapour Pressure: 4.23E-06 mmHg at 25 °C.
When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system and skin. We should avoid contacting with skin and eyes. In addition, This chemical should be stored in a dry and sealing place.
You can still convert the following datas into molecular structure:
(1) SMILES: O=Cc2cc(c(OCc1ccccc1)c(c2)C)C
(2) InChI: InChI=1/C16H16O2/c1-12-8-15(10-17)9-13(2)16(12)18-11-14-6-4-3-5-7-14/h3-10H,11H2,1-2H3
(3) InChIKey: GSYUTKRSEZMBNC-UHFFFAOYAS