heptyl decanoate supplier | CasNO.60160-17-0

Name
N-CAPRIC ACID N-HEPTYL ESTER
EINECS 262-089-4
CAS No. 60160-17-0
Article Data4
CAS DataBase
Density 0.865g/cm³
Solubility
Melting Point
Formula C₁₇H₃₄O₂
Boiling Point 320.3 °C at 760 mmHg
Molecular Weight 270.456
Flash Point 149.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Capricacid, heptyl ester (4CI);Heptyl caprate;Heptyl decanoate;
PSA 26.30000
LogP 5.64070

heptyl decanoate Specification

The heptyl decanoate, with CAS registry number 60160-17-0, has the systematic name of heptyl decanoate. Besides this, it is also called N-capric acid n-heptyl ester. And the chemical formula of this chemical is C₁₇H₃₄O₂.

Physical properties of heptyl decanoate: (1)ACD/LogP: 7.62; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.62; (4)ACD/LogD (pH 7.4): 7.62; (5)ACD/BCF (pH 5.5): 361476.59; (6)ACD/BCF (pH 7.4): 361476.59; (7)ACD/KOC (pH 5.5): 331166.75; (8)ACD/KOC (pH 7.4): 331166.75; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 15; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.441; (14)Molar Refractivity: 82.58 cm³; (15)Molar Volume: 312.6 cm³; (16)Polarizability: 32.73×10^-24cm³; (17)Surface Tension: 30.2 dyne/cm; (18)Density: 0.865 g/cm³; (19)Flash Point: 149.3 °C; (20)Enthalpy of Vaporization: 56.19 kJ/mol; (21)Boiling Point: 320.3 °C at 760 mmHg; (22)Vapour Pressure: 0.000321 mmHg at 25°C.

Preparation: this chemical can be prepared by heptan-2-ol and decanoic acid. This reaction will need reagent conc. H₂SO₄. The reaction time is 3 hour(s) with reaction temperature of 120 ℃. The yield is about 50%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCCCCCCC)CCCCCCCCC
(2)InChI: InChI=1/C17H34O2/c1-3-5-7-9-10-11-13-15-17(18)19-16-14-12-8-6-4-2/h3-16H2,1-2H3
(3)InChIKey: MPLLSYWBBPPERF-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C17H34O2/c1-3-5-7-9-10-11-13-15-17(18)19-16-14-12-8-6-4-2/h3-16H2,1-2H3
(5)Std. InChIKey: MPLLSYWBBPPERF-UHFFFAOYSA-N

Product Name

N-CAPRIC ACID N-HEPTYL ESTER

heptyl decanoate Specification

Related Products

Hot Products