CAS No.5056-17-7,(E,E,E)-2,7-dimethylocta-2,4,6-trienedial Suppliers

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Basic Information

Molecular Structure:
CAS No.:	5056-17-7
Name:	(E,E,E)-2,7-dimethylocta-2,4,6-trienedial
Article Data:	34

Formula:	C₁₀H₁₂O₂
Molecular Weight:	164.204
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;
EINECS:	225-756-0
Density:	0.973 g/cm³
Melting Point:	162-163.5℃ (methanol )
Boiling Point:	303.3 °C at 760 mmHg
Flash Point:	113.3 °C
PSA:	34.14000
LogP:	1.83300

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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
With hydrogenchloride; sodium hydroxide In water	67%

...Expand

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

: 5056-17-7
(2E,4E,6E)-2,7-dimethyl-2,4,6-octatrienedial

Conditions

Conditions	Yield
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

Conditions	Yield
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

Downstream Products

7235-40-7

502-65-8

144-68-3

128759-95-5

514-78-3

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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