2,4-Diethyl-2,6-heptadienal supplier

Name
2,4-Diethyl-2,6-heptadienal
EINECS 285-729-4
CAS No. 85136-07-8
Density 0.846 g/cm³
Solubility
Melting Point
Formula C₁₁H₁₈O
Boiling Point 209.4 °C at 760 mmHg
Molecular Weight 166.263
Flash Point 86.1 °C
Transport Information
Appearance Clear yellow liquid
Safety 26-36/37/39
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
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;
PSA 17.07000
LogP 3.12400

2,4-Diethyl-2,6-heptadienal 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

Product Name

2,4-Diethyl-2,6-heptadienal

2,4-Diethyl-2,6-heptadienal Specification

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