CAS No.7148-78-9,CINNAMALDEHYDE DIETHYL ACETAL Suppliers

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Basic Information

Molecular Structure:
CAS No.:	7148-78-9
Name:	CINNAMALDEHYDE DIETHYL ACETAL
Article Data:	30

Formula:	C₁₃H₁₈O₂
Molecular Weight:	206.285
Synonyms:	Benzene,(3,3-diethoxy-1-propenyl)- (9CI);Cinnamaldehyde, diethyl acetal (6CI,7CI,8CI);(3,3-Diethoxy-1-propenyl)benzene;Benzene, (3,3-diethoxypropenyl)-;NSC 53852;
EINECS:	230-467-8
Density:	0.984 g/cm³
Boiling Point:	297.6 °C at 760 mmHg
Flash Point:	110.1 °C
Appearance:	colorless transparent liquid
PSA:	18.46000
LogP:	3.09890

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Specification

The IUPAC name of Cinnamaldehyde diethyl acetal is [(E)-3,3-diethoxyprop-1-enyl]benzene. With the CAS registry number 7148-78-9, it is also named as (3,3-Diethoxy-1-propenyl)benzene. In addition, its molecular formula is C₁₃H₁₈O₂ and molecular weight is 206.28.

The other characteristics of Cinnamaldehyde diethyl acetal can be summarized as: (1)EINECS: 230-467-8; (2)ACD/LogP: 3.75; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): 3.75; (5)ACD/LogD (pH 7.4): 3.75; (6)ACD/BCF (pH 5.5): 418.26; (7)ACD/BCF (pH 7.4): 418.26; (8)ACD/KOC (pH 5.5): 2618.4; (9)ACD/KOC (pH 7.4): 2618.4; (10)#H bond acceptors: 2; (11)#H bond donors: 0; (12)#Freely Rotating Bonds: 6; (13)Polar Surface Area: 18.46 Å²; (14)Index of Refraction: 1.524; (15)Molar Refractivity: 64.12 cm³; (16)Molar Volume: 209.5 cm³; (17)Polarizability: 25.42×10^-24cm³; (18)Surface Tension: 34 dyne/cm; (19)Density: 0.984 g/cm³; (20)Flash Point: 110.1 °C; (21)Enthalpy of Vaporization: 51.6 kJ/mol; (22)Boiling Point: 297.6 °C at 760 mmHg; (23)Vapour Pressure: 0.00236 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: O(C(OCC)/C=C/c1ccccc1)CC
(2)InChI: InChI=1/C13H18O2/c1-3-14-13(15-4-2)11-10-12-8-6-5-7-9-12/h5-11,13H,3-4H2,1-2H3/b11-10+
(3)InChIKey: VYKDEWVAUWARRX-ZHACJKMWBJ
(4)Std. InChI: InChI=1S/C13H18O2/c1-3-14-13(15-4-2)11-10-12-8-6-5-7-9-12/h5-11,13H,3-4H2,1-2H3/b11-10+
(5)Std. InChIKey: VYKDEWVAUWARRX-ZHACJKMWSA-N