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26896-20-8

Basic Information
CAS No.: 26896-20-8
Name: Neodecanoic acid
Molecular Structure:
Molecular Structure of 26896-20-8 (Neodecanoic acid)
Formula: C10H20O2
Molecular Weight: 172.30
Synonyms: NeodecanoicAcid Prime;Topper 5E;Wiltz 65;
EINECS: 248-093-9
Density: 0.913 g/cm3
Melting Point: 34-36°C(lit.)
Boiling Point: 262.1 °C at 760 mmHg
Flash Point: 118.6 °C
Solubility: 79.7mg/L at 20℃
Appearance: Colorless liquid
Risk Codes: 36/37/38
Safety: 26-36/37/39
PSA: 37.30000
LogP: 3.06760
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  • Casno:

    26896-20-8

    Neodecanoic acid

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  • Neodecanoic acid

  • Casno:

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    Neodecanoic acid

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Consensus Reports

Reported in EPA TSCA Inventory.

Specification

The Neodecanoic acid is an organic compound with the formula C10H20O2. The IUPAC name of this chemical is 2-ethyl-2,5-dimethylhexanoic acid. With the CAS registry number 26896-20-8, it is also named as . The product's categories are hexanoic acid, 2-ethyl-2,5-dimethyl-. Besides, it is colorless liquid, which should be stored in a closed cool and dry place.

Physical properties about Neodecanoic acid are: (1)ACD/LogP: 3.42; (2)ACD/LogD (pH 5.5): 2.69; (3)ACD/LogD (pH 7.4): 0.9; (4)ACD/BCF (pH 5.5): 43.47; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 321.68; (7)ACD/KOC (pH 7.4): 5.27; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 26.3 Å2; (12)Index of Refraction: 1.441; (13)Molar Refractivity: 49.86 cm3; (14)Molar Volume: 188.6 cm3; (15)Polarizability: 19.76×10-24cm3; (16)Surface Tension: 30.7 dyne/cm; (17)Density: 0.913 g/cm3; (18)Flash Point: 118.6 °C; (19)Enthalpy of Vaporization: 55.03 kJ/mol; (20)Boiling Point: 262.1 °C at 760 mmHg; (21)Vapour Pressure: 0.00329 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C(CC)(CCC(C)C)C
(2)InChI: InChI=1/C10H20O2/c1-5-10(4,9(11)12)7-6-8(2)3/h8H,5-7H2,1-4H3,(H,11,12)
(3)InChIKey: PKJSRUTWBDIWAR-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C10H20O2/c1-5-10(4,9(11)12)7-6-8(2)3/h8H,5-7H2,1-4H3,(H,11,12)
(5)Std. InChIKey: PKJSRUTWBDIWAR-UHFFFAOYSA-N