CAS No.85136-07-8,2,4-Diethyl-2,6-heptadienal Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	85136-07-8
Name:	2,4-Diethyl-2,6-heptadienal

Formula:	C₁₁H₁₈O
Molecular Weight:	166.263
Synonyms:	(2E,4S)-2,4-diethylhepta-2,6-dienal;(2E)-2,4-diethylhepta-2,6-dienal;2,4-Diethylhepta-2,6-dienal;(2E,4R)-2,4-diethylhepta-2,6-dienal;(E)-2,4-diethylhepta-2,6-dienal;
EINECS:	285-729-4
Density:	0.846 g/cm³
Boiling Point:	209.4 °C at 760 mmHg
Flash Point:	86.1 °C
Appearance:	Clear yellow liquid
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36/37/39
PSA:	17.07000
LogP:	3.12400

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Specification

The 2,4-Diethyl-2,6-heptadienal, with the CAS registry number 85136-07-8 and EINECS registry number 285-729-4, has the systematic name of 2,4-diethylhepta-2,6-dienal. It is a kind of clear yellow liquid, and belongs to the following product categories: Aldehydes; C10 to C21; Carbonyl Compounds. And the molecular formula of the chemical is C₁₁H₁₈O.

The characteristics of 2,4-Diethyl-2,6-heptadienal are as followings: (1)ACD/LogP: 3.50; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.5; (4)ACD/LogD (pH 7.4): 3.5; (5)ACD/BCF (pH 5.5): 270.89; (6)ACD/BCF (pH 7.4): 270.89; (7)ACD/KOC (pH 5.5): 1918.66; (8)ACD/KOC (pH 7.4): 1918.66; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 17.07 Å²; (13)Index of Refraction: 1.45; (14)Molar Refractivity: 52.78 cm³; (15)Molar Volume: 196.3 cm³; (16)Polarizability: 20.92×10^-24cm³; (17)Surface Tension: 27.2 dyne/cm; (18)Density: 0.846 g/cm³; (19)Flash Point: 86.1 °C; (20)Enthalpy of Vaporization: 44.57 kJ/mol; (21)Boiling Point: 209.4 °C at 760 mmHg; (22)Vapour Pressure: 0.203 mmHg at 25°C.

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C/C(=C/C(CC)C\C=C)CC
(2)InChI: InChI=1/C11H18O/c1-4-7-10(5-2)8-11(6-3)9-12/h4,8-10H,1,5-7H2,2-3H3/b11-8+
(3)InChIKey: QAFGEOHWEQLURJ-DHZHZOJOBJ