2(3H)-Furanone,dihydro-4-methyl-5-pentyl- supplier

Name
METHYL TUBERATE
EINECS 251-629-4
CAS No. 33673-62-0
Article Data22
CAS DataBase
Density 0.928 g/cm³
Solubility
Melting Point
Formula C₁₀H₁₈O₂
Boiling Point 260.9 °C at 760 mmHg
Molecular Weight 170.252
Flash Point 102.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-Methyl-5-pentyl-4,5-dihydro-2(3H)-furanone;NSC 29897;2(3H)-furanone, dihydro-4-methyl-5-pentyl-;4-methyl-5-pentyldihydrofuran-2(3H)-one;4-Methyl-5-pentyldihydrofuran-2(3H)-one;4-Methyl-5-pentyldihydro-2(3H)-furanone;
PSA 26.30000
LogP 2.51830

2(3H)-Furanone,dihydro-4-methyl-5-pentyl- Specification

The 2(3H)-Furanone,dihydro-4-methyl-5-pentyl-, with the CAS registry number 33673-62-0 and EINECS registry number 251-629-4, has the systematic name of 4-methyl-5-pentyldihydrofuran-2(3H)-one. It is also called Dihydro-4-methyl-5-pentylfuran-2-one. And the molecular formula of this chemical is C₁₀H₁₈O₂.

The physical properties of 2(3H)-Furanone,dihydro-4-methyl-5-pentyl- are as following: (1)ACD/LogP: 2.35; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.35; (4)ACD/LogD (pH 7.4): 2.35; (5)ACD/BCF (pH 5.5): 35.68; (6)ACD/BCF (pH 7.4): 35.68; (7)ACD/KOC (pH 5.5): 449.6; (8)ACD/KOC (pH 7.4): 449.6; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.437; (14)Molar Refractivity: 48.11 cm³; (15)Molar Volume: 183.3 cm³; (16)Polarizability: 19.07×10^-24cm³; (17)Surface Tension: 28.1 dyne/cm; (18)Density: 0.928 g/cm³; (19)Flash Point: 102.9 °C; (20)Enthalpy of Vaporization: 49.86 kJ/mol; (21)Boiling Point: 260.9 °C at 760 mmHg; (22)Vapour Pressure: 0.0119 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1OC(CCCCC)C(C1)C
(2)InChI: InChI=1/C10H18O2/c1-3-4-5-6-9-8(2)7-10(11)12-9/h8-9H,3-7H2,1-2H3
(3)InChIKey: LOQFOBUZYRBURV-UHFFFAOYAR

Product Name

METHYL TUBERATE

2(3H)-Furanone,dihydro-4-methyl-5-pentyl- Specification

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