Ethyl 2-ethylhexanoate supplier

Name
ethyl 2-ethylhexanoate
EINECS 221-043-3
CAS No. 2983-37-1
Article Data16
CAS DataBase
Density 0.872 g/cm³
Solubility 65mg/L at 20℃
Melting Point -63.5°C (estimate)
Formula C₁₀H₂₀O₂
Boiling Point 195.7 °C at 760 mmHg
Molecular Weight 172.268
Flash Point 71.4 °C
Transport Information
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Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Ethyl2-ethylhexanoate;Ethyl a-ethylcaproate;Ethyl 2-ethylhexanoat;
PSA 26.30000
LogP 2.76590

Ethyl 2-ethylhexanoate Specification

The Hexanoic acid,2-ethyl-, ethyl ester, with the CAS registry number 2983-37-1, is also known as Ethyl 2-ethylhexanoat. Its EINECS registry number is 221-043-3. This chemical's molecular formula is C₁₀H₂₀O₂ and molecular weight is 172.2646. What's more, its systematic name is Ethyl 2-ethylhexanoate.

Physical properties about Hexanoic acid,2-ethyl-, ethyl ester are: (1)ACD/LogP: 3.71; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.71; (4)ACD/LogD (pH 7.4): 3.71; (5)ACD/BCF (pH 5.5): 390.38; (6)ACD/BCF (pH 7.4): 390.38; (7)ACD/KOC (pH 5.5): 2492.26; (8)ACD/KOC (pH 7.4): 2492.26; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.421; (14)Molar Refractivity: 50.11 cm³; (15)Molar Volume: 197.4 cm³; (16)Polarizability: 19.86×10^-24cm³; (17)Surface Tension: 27.4 dyne/cm; (18)Density: 0.872 g/cm³; (19)Flash Point: 71.4 °C; (20)Enthalpy of Vaporization: 43.19 kJ/mol; (21)Boiling Point: 195.7 °C at 760 mmHg; (22)Vapour Pressure: 0.413 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)C(CCCC)CC
(2)InChI: InChI=1/C10H20O2/c1-4-7-8-9(5-2)10(11)12-6-3/h9H,4-8H2,1-3H3
(3)InChIKey: YXAGIRHBJJLWHW-UHFFFAOYAZ

Product Name

ethyl 2-ethylhexanoate

Ethyl 2-ethylhexanoate Specification

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