Product Name

  • Name

    Ethylhexanoic acid zinc salt

  • EINECS 205-251-1
  • CAS No. 136-53-8
  • Article Data7
  • CAS DataBase
  • Density 1.17 g/cm3
  • Solubility Not miscible or difficult to mix in water.
  • Melting Point 115-117oC
  • Formula C8H15O2 1/2Zn
  • Boiling Point 228 °C at 760 mmHg
  • Molecular Weight 351.802
  • Flash Point 116.6 °C
  • Transport Information UN 1993
  • Appearance
  • Safety 26-36/37/39
  • Risk Codes 36/37/38
  • Molecular Structure Molecular Structure of 136-53-8 (Ethylhexanoic acid zinc salt)
  • Hazard Symbols
  • Synonyms 2-Ethylhexanoic acid zinc salt;Hexanoicacid, 2-ethyl-, zinc salt (8CI,9CI);Nikka Octhix Zinc;Zinc 2-ethylhexanoate;Zinc2-ethylcaproate;Therm-Chek 705;Zinc 2-ethylhexoate;Zinc2-ethylhexylate;Zinc di(2-ethylhexanoate);Zinc di(2-ethylhexoate);Zinc ethylhexanoate;Zinc a-ethylhexanoate;Zinc(II) 2-ethylhexanoate;Zinc bis(2-ethylcaproate);
  • PSA 52.60000
  • LogP 4.41810

Synthetic route

2-Ethylhexanoic acid
149-57-5

2-Ethylhexanoic acid

zinc 2-ethylhexanoate
136-53-8

zinc 2-ethylhexanoate

Conditions
ConditionsYield
In toluene for 8h; Reflux;87%
cerium
7440-45-1

cerium

cerium(III) 2-ethylhexanoate

cerium(III) 2-ethylhexanoate

cerium(III) nitrate hexahydrate

cerium(III) nitrate hexahydrate

2-Ethylhexanoic acid
149-57-5

2-Ethylhexanoic acid

zinc 2-ethylhexanoate
136-53-8

zinc 2-ethylhexanoate

Conditions
ConditionsYield
In acetone
2-Ethylhexanoic acid
149-57-5

2-Ethylhexanoic acid

zinc(II) oxide

zinc(II) oxide

zinc 2-ethylhexanoate
136-53-8

zinc 2-ethylhexanoate

Conditions
ConditionsYield
In not given react. zinc oxide and 2-ethylhexanoic acid in stoic. proportions;
In benzene Reflux; Dean-Stark;
2-Ethylhexanoic acid
149-57-5

2-Ethylhexanoic acid

zinc(II) hydroxide

zinc(II) hydroxide

A

4Zn(2+)*O(2-)*6CH3(CH2)3CH(C2H5)CO2(1-)=Zn4O(CH3(CH2)3CH(C2H5)CO2)6

4Zn(2+)*O(2-)*6CH3(CH2)3CH(C2H5)CO2(1-)=Zn4O(CH3(CH2)3CH(C2H5)CO2)6

B

zinc 2-ethylhexanoate
136-53-8

zinc 2-ethylhexanoate

Conditions
ConditionsYield
In neat (no solvent) excess ZnO, repeated vibration milling; not isolated, detd. by IR spectroscopy;
2-Ethylhexanoic acid
149-57-5

2-Ethylhexanoic acid

zinc 2-ethylhexanoate
136-53-8

zinc 2-ethylhexanoate

Conditions
ConditionsYield
With zinc(II) oxide
R-(+)-1,2-limonene epoxide

R-(+)-1,2-limonene epoxide

zinc 2-ethylhexanoate
136-53-8

zinc 2-ethylhexanoate

2-amino-phenol
95-55-6

2-amino-phenol

R-(-)-carveol

R-(-)-carveol

zinc 2-ethylhexanoate
136-53-8

zinc 2-ethylhexanoate

zinc(II) oxide

zinc(II) oxide

μ-4-oxo-hexakis-(μ-2-ethylhexanato)-tetrazinc(II)

μ-4-oxo-hexakis-(μ-2-ethylhexanato)-tetrazinc(II)

Conditions
ConditionsYield
In toluene zinc 2-ethylhexanoate in toluene heated and stirred with zinc oxide for 3 h; product filtered, solvent removed;
morpholine
110-91-8

morpholine

zinc 2-ethylhexanoate
136-53-8

zinc 2-ethylhexanoate

Zn(2+)*2C5H10(C2H5)COO(1-)*2O(CH2)4NH=Zn(C5H10(C2H5)COO)2*2O(CH2)4NH

Zn(2+)*2C5H10(C2H5)COO(1-)*2O(CH2)4NH=Zn(C5H10(C2H5)COO)2*2O(CH2)4NH

Conditions
ConditionsYield
In diethyl ether soln. morpholine in ether treated with neutral zinc 2-ethylhexanoate inether at ambient temp. and kept at room temp. for 24 h; elem. anal.;
n-Dodecylamine
124-22-1

n-Dodecylamine

zinc 2-ethylhexanoate
136-53-8

zinc 2-ethylhexanoate

Zn(2+)*2C5H10(C2H5)COO(1-)*2C12H25NH2=Zn(C5H10(C2H5)COO)2*2C12H25NH2

Zn(2+)*2C5H10(C2H5)COO(1-)*2C12H25NH2=Zn(C5H10(C2H5)COO)2*2C12H25NH2

Conditions
ConditionsYield
In diethyl ether soln. n-dodecylamine in ether treated with neutral zinc 2-ethylhexanoate in ether at ambient temp. and kept at room temp. for 24 h; elem. anal.;
zinc 2-ethylhexanoate
136-53-8

zinc 2-ethylhexanoate

cyclohexylamine
108-91-8

cyclohexylamine

Zn(2+)*2C5H10(C2H5)COO(1-)*2C6H11NH2=Zn(C5H10(C2H5)COO)2*2C6H11NH2

Zn(2+)*2C5H10(C2H5)COO(1-)*2C6H11NH2=Zn(C5H10(C2H5)COO)2*2C6H11NH2

Conditions
ConditionsYield
In diethyl ether soln. cyclohexylamine in ether treated with neutral zinc 2-ethylhexanoate in ether at ambient temp. and kept at room temp. for 24 h; elem. anal.;
niobium(V) ethoxide
3236-82-6

niobium(V) ethoxide

lead acetate
301-04-2

lead acetate

zinc 2-ethylhexanoate
136-53-8

zinc 2-ethylhexanoate

Pb1.05Zn0.33Nb0.67O3

Pb1.05Zn0.33Nb0.67O3

Conditions
ConditionsYield
With 2-Ethylhexanoic acid In 2-methoxy-ethanol ethylhexanoic acid addn. to mixed soln., dip coating, preheating (300°C, 2 h), heat treatment (700-900°C, 1 h); X-ray diffraction, scanning electron microscopy;

Zinc bis(2-ethylhexanoate) Specification

The Zinc bis(2-ethylhexanoate), with the CAS registry number 136-53-8, is also known as Ethylhexanoic acid zinc salt. It belongs to the product categories of Organic-Metal Salt; Metal Carboxylate. Its EINECS registry number is 205-251-1. This chemical's molecular formula is C8H15O2 1/2Zn and molecular weight is 175.90. What's more, its IUPAC name is called Zinc 2-ethylhexanoate. It should be stored in a cool, dry and well-ventilated place. It can be used as terebine.

Physical properties about Zinc bis(2-ethylhexanoate) are: (1)ACD/LogP: 2.719; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.96; (4)ACD/LogD (pH 7.4): 0.17; (5)ACD/BCF (pH 5.5): 11.85; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 123.98; (8)ACD/KOC (pH 7.4): 2.01; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 37.3 Å2; (13)Flash Point: 116.6 °C; (14)Enthalpy of Vaporization: 51.18 kJ/mol; (15)Boiling Point: 228 °C at 760 mmHg; (16)Vapour Pressure: 0.027 mmHg at 25 °C.

When you are dealing with this chemical, you should be very careful. This chemical is inflammation to the skin, eyes and respiratory system or other mucous membranes. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: [Zn+2].[O-]C(=O)C(CC)CCCC.[O-]C(=O)C(CC)CCCC
(2) InChI: InChI=1S/2C8H16O2.Zn/c2*1-3-5-6-7(4-2)8(9)10;/h2*7H,3-6H2,1-2H3,(H,9,10);/q;;+2/p-2
(3) InChIKey: IFNXAMCERSVZCV-UHFFFAOYSA-L

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