CAS No.4493-42-9,2,4-DECADIENOIC ACID METHYL ESTER Suppliers

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Basic Information

Molecular Structure:
CAS No.:	4493-42-9
Name:	2,4-DECADIENOIC ACID METHYL ESTER
Article Data:	12

Formula:	C11H18 O2
Molecular Weight:	182.263
Synonyms:	2,4-Decadienoicacid, methyl ester, (E,Z)- (8CI);(2E,4Z)-2,4-Decadienoic acid methyl ester;Methyl (2E,4Z)-2,4-decadienoate;Methyl(E,Z)-2,4-decadienoate;Methyl 2-trans-4-cis-decadienoate;Methyl2E,4Z-decadienoate;
EINECS:	224-787-7
Density:	0.907 g/cm³
Boiling Point:	246 °C at 760 mmHg
Flash Point:	108.1 °C
PSA:	26.30000
LogP:	2.85210

Synthetic route

: 693-25-4
n-pentylmagnesium bromide

: 38666-08-9
methyl (2E,4Z)-5-chloropenta-2,4-dienoate

: 4493-42-9
methyl (2E,4Z)-deca-2,4-dienoate

Conditions

Conditions	Yield
With 1-methyl-pyrrolidin-2-one; iron(III)-acetylacetonate In tetrahydrofuran at 0 - 20℃; for 0.5h; Inert atmosphere;	78%

: 628-71-7
1-Heptyne

: 292638-85-8
acrylic acid methyl ester

: 4493-42-9
methyl (2E,4Z)-deca-2,4-dienoate

Conditions

Conditions	Yield
With carbonylchlorohydridotris(triphenylphosphine)ruthenium (II) In N,N-dimethyl-formamide at 100℃; for 24h; Inert atmosphere; optical yield given as %de; regioselective reaction;	69%

: 118793-68-3, 94133-53-6
methyl (E)-dec-2-en-4-ynoate

: 4493-42-9
methyl (2E,4Z)-deca-2,4-dienoate

Conditions

Conditions	Yield
With quinoline; methanol; Lindlar's catalyst Hydrogenation;

: 7328-33-8
methyl (2E,4E)-decadienoate

A: 108965-84-0
methyl (2Z,4E)-2,4-decadienoate

B: 4493-42-9
methyl (2E,4Z)-deca-2,4-dienoate

Conditions

Conditions	Yield
In pentane Irradiation; photoisomerization with, or witout iodine;

: 118793-68-3
methyl deca-(2Z)-en-4-ynoate

A: 108965-86-2
methyl (2Z,4Z)-2,4-decadienoate

B: 108965-84-0
methyl (2Z,4E)-2,4-decadienoate

C: 4493-42-9
methyl (2E,4Z)-deca-2,4-dienoate

D: 7328-33-8
methyl (2E,4E)-decadienoate

Conditions

Conditions	Yield
With quinoline; hydrogen; Lindlar's catalyst In hexane Yield given;

...Expand

: 67629-62-3
methyl 4-(diethylphosphono)crotonate

: 66-25-1
hexanal

A: 4493-42-9
methyl (2E,4Z)-deca-2,4-dienoate

B: 7328-33-8
methyl (2E,4E)-decadienoate

Conditions

Conditions	Yield
With n-butyllithium; diisopropylamine 1.)THF, -78 deg C, 2.) -78 deg C 1 h,; Yield given. Multistep reaction. Yields of byproduct given;

...Expand

: 108965-81-7, 108965-82-8
(E)-(2S,3S)-2-Hydroxy-3-trimethylsilanyl-dec-4-enoic acid methyl ester

A: 4493-42-9
methyl (2E,4Z)-deca-2,4-dienoate

B: 7328-33-8
methyl (2E,4E)-decadienoate

Conditions

Conditions	Yield
With potassium hydride In tetrahydrofuran at -78 - -40℃; Yield given. Yields of byproduct given;

: 2417-93-8
propyllithium

: 922-67-8
propynoic acid methyl ester

: 74-86-2
acetylene

A: 4493-42-9
methyl (2E,4Z)-deca-2,4-dienoate

B: 200125-18-4
methyl (2E,4Z,6Z)-2,4,6-decatrienoate

Conditions

Conditions	Yield
With copper(I) bromide dimethylsulfide complex 1.) hexane, ether, -30 deg C, 30 min, 2.) ether, -50 - -10 deg C, 1 h, 3.) THF, -78 deg C, 30 min; Yield given. Multistep reaction;

...Expand

: 67-56-1
methanol

commercial ethyl (2E,4Z)-2,4-decadienoate: commercial ethyl (2E,4Z)-2,4-decadienoate

A: 4493-42-9
methyl (2E,4Z)-deca-2,4-dienoate

B: 7328-33-8
methyl (2E,4E)-decadienoate

C: 77761-46-7
Me deca-trans-3, trans-5-dienoate

Conditions

Conditions	Yield
With sodium methylate Yield given;

...Expand

: 67-56-1
methanol

: 1050222-52-0
(2E,4E/4Z)-2,4-Decadienal

A: 4493-42-9
methyl (2E,4Z)-deca-2,4-dienoate

B: 7328-33-8
methyl (2E,4E)-decadienoate

Conditions

Conditions	Yield
With manganese(IV) oxide; sodium cyanide; acetic acid at 20℃; for 48h; Title compound not separated from byproducts;

...Expand

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Specification

The 2,4-Decadienoic acid,methyl ester,(2E,4Z)-, with the CAS registry number 4493-42-9,is also known as Methyl 2,4-decadienoate. It belongs to the product categories of Organic matters. This chemical's molecular formula is C11H18O2 and molecular weight is 182.26. Its EINECS number is 224-787-7.What's more,Its systematic name is 2,4-Decadienoic acid,methyl ester,(2E,4Z)-.

Physical properties about 2,4-Decadienoic acid,methyl ester,(2E,4Z)- are:
(1)ACD/LogP: 3.986; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.99; (4)ACD/LogD (pH 7.4): 3.99; (5)ACD/BCF (pH 5.5): 630.30; (6)ACD/BCF (pH 7.4): 630.30; (7)ACD/KOC (pH 5.5): 3511.70; (8)ACD/KOC (pH 7.4): 3511.70; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 7; (12)Index of Refraction: 1.459; (13)Molar Refractivity: 54.901 cm3; (14)Molar Volume: 200.821 cm3; (15)Surface Tension: 29.7320003509521 dyne/cm; (16)Density: 0.908 g/cm3; (17)Flash Point: 108.08 °C; (18)Enthalpy of Vaporization: 48.311 kJ/mol; (19)Boiling Point: 246 °C at 760 mmHg; (20)Vapour Pressure: 0.0280000008642673 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES:O=C(OC)\C=C\C=C/CCCCC;
(2)Std. InChI:InChI=1S/C11H18O2/c1-3-4-5-6-7-8-9-10-11(12)13-2/h7-10H,3-6H2,1-2H3/b8-7-,10-9+;
(3)Std. InChIKey:SFHSEXGIVSBRRK-UQGDGPGGSA-N.