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2,4,6-Octatrienedial,2,7-dimethyl-, (2E,4E,6E)-
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Name

2,4,6-Octatrienedial,2,7-dimethyl-, (2E,4E,6E)-

 EINECS 225-756-0
CAS No. 5056-17-7 Density 0.973 g/cm3
PSA 34.14000 LogP 1.83300
Solubility N/A Melting Point 162-163.5℃ (methanol )
Formula C10H12O2 Boiling Point 303.3 °C at 760 mmHg
Molecular Weight 164.204 Flash Point 113.3 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 5056-17-7 ((E,E,E)-2,7-dimethylocta-2,4,6-trienedial) Hazard Symbols N/A
Synonyms

2,4,6-Octatrienedial,2,7-dimethyl-, (E,E,E)- (8CI,9CI);(E,E,E)-2,7-Dimethyl-2,4,6-octatrien-1,8-dial;(E,E,E)-2,7-Dimethylocta-2,4,6-trienedial;(all-E)-2,7-Dimethyl-2,4,6-octatrienedial;12,12'-Di-apo-carotenedial;all-E-2,7-Dimethylocta-2,4,6-triene-1,8-dial;all-trans-2,7-Dimethyl-2,4,6-octatrienedial;

Article Data 34

2,4,6-Octatrienedial,2,7-dimethyl-, (2E,4E,6E)- Synthetic route

209615-09-8

2,2'-(1,6-Dimethyl-1,3,5-hexatrienylen)bis(5,5-dimethyl-1,3-dioxan)

5056-17-7

(2E,4E,6E)-2,7-dimethyl-2,4,6-octatrienedial

Conditions
ConditionsYield
With hydrogenchloride In tetrahydrofuran at 20℃; for 2h; Hydrolysis;94%

8,8-Dimethoxy-2,7-dimethylocta-2,4,6-trien-1-al

5056-17-7

(2E,4E,6E)-2,7-dimethyl-2,4,6-octatrienedial

Conditions
ConditionsYield
With hydrogenchloride In acetone for 0.166667h; Ambient temperature;92%
128759-95-5

(2E,4E,6E)-1,1,8,8-tetramethoxy-2,7-dimethylocta-2,4,6-triene

5056-17-7

(2E,4E,6E)-2,7-dimethyl-2,4,6-octatrienedial

Conditions
ConditionsYield
With acetic acid In tetrahydrofuran at 45℃; for 3h;90%

1,8-diethoxy-1,3,6,8-tetramethoxy-2,7-dimethyl-4-octene

5056-17-7

(2E,4E,6E)-2,7-dimethyl-2,4,6-octatrienedial

Conditions
ConditionsYield
With sodium acetate; acetic acid In water at 95℃;85%
7319-16-6

methyl prop-1-enyl ether

5370-08-1

1,1,4,4-tetramethoxy-2-butene

5056-17-7

(2E,4E,6E)-2,7-dimethyl-2,4,6-octatrienedial

Conditions
ConditionsYield
Stage #1: methyl prop-1-enyl ether; 1,1,4,4-tetramethoxy-2-butene With iron(III) chloride In toluene at 25℃; for 6h;
Stage #2: With sulfuric acid; water In toluene at 80℃; for 5 - 8h;
Stage #3: With water; sodium hydrogencarbonate In toluene at 80 - 85℃; for 3 - 4h; Product distribution / selectivity;		83.6%
106484-89-3

(E)-3-iodo-2-methylprop-2-enal

(2E,4E)-2-methyl-5-(tributylstannyl)-2,4-pentadien-1-al

5056-17-7

(2E,4E,6E)-2,7-dimethyl-2,4,6-octatrienedial

Conditions
ConditionsYield
With triphenyl-arsane; tris-(dibenzylideneacetone)dipalladium(0) In 1-methyl-pyrrolidin-2-one at 25℃;80%
113951-62-5

(2E,4E,6E)-2,6-dimethylocta-2,4,6-triene-1,8-diol

5056-17-7

(2E,4E,6E)-2,7-dimethyl-2,4,6-octatrienedial

Conditions
ConditionsYield
With manganese(IV) oxide In acetone at 0 - 20℃;73%
With manganese(IV) oxide In acetone at 0℃;58%
With manganese(IV) oxide In acetone at 0℃;26%
hydrogen bis(oxalato)borate

hydrogen bis(oxalato)borate

4188-68-5

methyl (Z)-prop-1-enyl ether

6068-62-8

trans-butenedial bis-(dimethyl acetal)

5056-17-7

(2E,4E,6E)-2,7-dimethyl-2,4,6-octatrienedial

Conditions
ConditionsYield
With hydrogenchloride; sodium hydroxide In water67%

2,7-dimethyl-2,4,6-octatrienedial

5056-17-7

(2E,4E,6E)-2,7-dimethyl-2,4,6-octatrienedial

Conditions
ConditionsYield
With p-toluene sulfinic acid In 1,4-dioxane for 0.25h; Heating / reflux;66%
With toluene-4-sulfonic acid In 1,4-dioxane for 0.25h; Product distribution / selectivity; Heating / reflux;66%
With toluene-4-sulfonic acid In 1,4-dioxane for 0.25h; Inert atmosphere; Reflux;16%

1,1,8,8-tetramethoxy-2,7-dimethyl-2,4,6-octatriene

5056-17-7

(2E,4E,6E)-2,7-dimethyl-2,4,6-octatrienedial

Conditions
ConditionsYield
With acetic acid In tetrahydrofuran; water at 45 - 54℃; for 3h; Product distribution / selectivity;58.8%
Multi-step reaction with 2 steps
1: acetic acid / water; tetrahydrofuran / 45 °C / Inert atmosphere
2: toluene-4-sulfonic acid / 1,4-dioxane / 0.25 h / Inert atmosphere; Reflux
View Scheme
With acetic acid In tetrahydrofuran; water at 45 - 54℃; for 3.5h;10.75 g

2,4,6-Octatrienedial,2,7-dimethyl-, (2E,4E,6E)- Specification

The 2,4,6-Octatrienedial,2,7-dimethyl-, (2E,4E,6E)-, with the CAS registry number 5056-17-7, is also known as (E,E,E)-2,7-Dimethylocta-2,4,6-trienedial. Its EINECS registry number is 225-756-0. This chemical's molecular formula is C10H12O2 and molecular weight is 164.20108. Its systematic name is called (2E,4E,6E)-2,7-dimethylocta-2,4,6-trienedial.

Physical properties of 2,4,6-Octatrienedial,2,7-dimethyl-, (2E,4E,6E)-: (1)ACD/LogP: 0.86; (2)ACD/LogD (pH 5.5): 0.86; (3)ACD/LogD (pH 7.4): 0.86; (4)ACD/BCF (pH 5.5): 2.64; (5)ACD/BCF (pH 7.4): 2.64; (6)ACD/KOC (pH 5.5): 69.69; (7)ACD/KOC (pH 7.4): 69.69; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 4; (10)Index of Refraction: 1.488; (11)Molar Refractivity: 48.61 cm3; (12)Molar Volume: 168.6 cm3; (13)Surface Tension: 32.1 dyne/cm; (14)Density: 0.973 g/cm3; (15)Flash Point: 113.3 °C; (16)Enthalpy of Vaporization: 54.36 kJ/mol; (17)Boiling Point: 303.3 °C at 760 mmHg; (18)Vapour Pressure: 0.000939 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C\C(=C\C=C\C=C(\C=O)C)C
(2)InChI: InChI=1/C10H12O2/c1-9(7-11)5-3-4-6-10(2)8-12/h3-8H,1-2H3/b4-3+,9-5+,10-6+
(3)InChIKey: AYODHZHFDRRQEZ-XLKYRCCQBW

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