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136-53-8

Basic Information
CAS No.: 136-53-8
Name: Ethylhexanoic acid zinc salt
Article Data: 7
Molecular Structure:
Molecular Structure of 136-53-8 (Ethylhexanoic acid zinc salt)
Formula: C8H15O2 1/2Zn
Molecular Weight: 351.802
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);
EINECS: 205-251-1
Density: 1.17 g/cm3
Melting Point: 115-117oC
Boiling Point: 228 °C at 760 mmHg
Flash Point: 116.6 °C
Solubility: Not miscible or difficult to mix in water.
Risk Codes: 36/37/38
Safety: 26-36/37/39
Transport Information: UN 1993
PSA: 52.60000
LogP: 4.41810
Synthetic route
149-57-5

2-Ethylhexanoic acid

136-53-8

zinc 2-ethylhexanoate

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

cerium

cerium(III) 2-ethylhexanoate

cerium(III) nitrate hexahydrate

149-57-5

2-Ethylhexanoic acid

136-53-8

zinc 2-ethylhexanoate

Conditions
ConditionsYield
In acetone
149-57-5

2-Ethylhexanoic acid

zinc(II) oxide

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;
149-57-5

2-Ethylhexanoic acid

zinc(II) hydroxide

A

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

B

136-53-8

zinc 2-ethylhexanoate

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

2-Ethylhexanoic acid

136-53-8

zinc 2-ethylhexanoate

Conditions
ConditionsYield
With zinc(II) oxide

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

136-53-8

zinc 2-ethylhexanoate

95-55-6

2-amino-phenol

R-(-)-carveol

136-53-8

zinc 2-ethylhexanoate

zinc(II) oxide

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;
110-91-8

morpholine

136-53-8

zinc 2-ethylhexanoate

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.;
124-22-1

n-Dodecylamine

136-53-8

zinc 2-ethylhexanoate

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.;
136-53-8

zinc 2-ethylhexanoate

108-91-8

cyclohexylamine

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.;
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    Product Name: Ethylhexanoic acid zinc salt CAS: 136-53-8 MF: C16H30O4Zn MW: 351.8 EINECS: 205-251-1 Mol File: 136-53-8.mol Ethylhexanoic acid zinc salt Structure Ethylhexanoic acid zinc salt Chemical Properties density 1,17 g/

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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