Benzaldehyde,3-ethoxy-4-(2-propyn-1-yloxy)- supplier

Name
3-ETHOXY-4-PROP-2-YNYLOXY-BENZALDEHYDE
EINECS
CAS No. 428847-37-4
Density 1.119 g/cm³
Solubility
Melting Point
Formula C₁₂H₁₂O₃
Boiling Point 338.4 °C at 760mmHg
Molecular Weight 204.22
Flash Point 149.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms Benzaldehyde,3-ethoxy-4-(2-propynyloxy)- (9CI);
PSA 35.53000
LogP 1.90980

Benzaldehyde,3-ethoxy-4-(2-propyn-1-yloxy)- Specification

The Benzaldehyde,3-ethoxy-4-(2-propyn-1-yloxy)-, with the CAS registry number 428847-37-4, is also known as 3-Ethoxy-4-(prop-2-yn-1-yloxy)benzaldehyde. It belongs to the product category of Ethoxy. This chemical's molecular formula is C₁₂H₁₂O₃ and molecular weight is 204.22. What's more, its IUPAC name is called 3-Ethoxy-4-prop-2-ynoxybenzaldehyde. In addition, this chemical is irritanting and may cause inflammation to the skin or other mucous membranes.

Physical properties about Benzaldehyde,3-ethoxy-4-(2-propyn-1-yloxy)- are: (1)ACD/LogP: 2.18; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.18; (4)ACD/LogD (pH 7.4): 2.18; (5)ACD/BCF (pH 5.5): 26.75; (6)ACD/BCF (pH 7.4): 26.75; (7)ACD/KOC (pH 5.5): 365.87; (8)ACD/KOC (pH 7.4): 365.87; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 35.53 Å²; (13)Index of Refraction: 1.549; (14)Molar Refractivity: 58.08 cm³; (15)Molar Volume: 182.3 cm³; (16)Polarizability: 23.02×10^-24 cm³; (17)Surface Tension: 41.8 dyne/cm; (18)Density: 1.119 g/cm³; (19)Flash Point: 149.6 °C; (20)Enthalpy of Vaporization: 58.17 kJ/mol; (21)Boiling Point: 338.4 °C at 760 mmHg; (22)Vapour Pressure: 9.85E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=Cc1cc(OCC)c(OCC#C)cc1
(2) InChI: InChI=1/C12H12O3/c1-3-7-15-11-6-5-10(9-13)8-12(11)14-4-2/h1,5-6,8-9H,4,7H2,2H3
(3) InChIKey: PODDLMWNBNRQJK-UHFFFAOYAK

Product Name

3-ETHOXY-4-PROP-2-YNYLOXY-BENZALDEHYDE

Benzaldehyde,3-ethoxy-4-(2-propyn-1-yloxy)- Specification

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