Fraision butyrate supplier | CasNO.114099-96-6

Name
Fraision butyrate
EINECS
CAS No. 114099-96-6
Density 1.12 g/cm³
Solubility
Melting Point
Formula C₁₀H₁₄O₄
Boiling Point 286.8 °C at 760 mmHg
Molecular Weight 198.22
Flash Point 123.3 °C
Transport Information
Appearance colorless or light yellow transparent liquid
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Fraision butyrate;2,5-Dimethyl-4-butyroxy-3(2H)-furanone;
PSA 52.60000
LogP 1.54900

Fraision butyrate Specification

The systematic name of Fraision butyrate is 2,5-dimethyl-4-oxo-4,5-dihydrofuran-3-yl butanoate. With the CAS registry number 114099-96-6, it is also named as 2,5-Dimethyl-4-butyroxy-3(2H)-furanone. In addition, its molecular formula is C₁₀H₁₄O₄ and its molecular weight is 198.22. Besides, this chemical is colorless or light yellow transparent liquid which is important raw material of fruit essence.

The other characteristics of Fraision butyrate can be summarized as: (1)FEMA: 3970; (2)ACD/LogP: 1.87; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): 1.87; (5)ACD/LogD (pH 7.4): 1.87; (6)ACD/BCF (pH 5.5): 15.48; (7)ACD/BCF (pH 7.4): 15.48; (8)ACD/KOC (pH 5.5): 247.34; (9)ACD/KOC (pH 7.4): 247.34; (10)#H bond acceptors: 4; (11)#H bond donors: 0; (12)#Freely Rotating Bonds: 4; (13)Polar Surface Area: 52.6 Å²; (14)Index of Refraction: 1.474; (15)Molar Refractivity: 49.44 cm³; (16)Molar Volume: 175.7 cm³; (17)Polarizability: 19.6×10^-24cm³; (18)Surface Tension: 35.8 dyne/cm; (19)Density: 1.12 g/cm³; (20)Flash Point: 123.3 °C; (21)Enthalpy of Vaporization: 52.59 kJ/mol; (22)Boiling Point: 286.8 °C at 760 mmHg; (23)Vapour Pressure: 0.00258 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: O=C(OC=1C(=O)C(C)OC=1C)CCC
(2)InChI: InChI=1/C10H14O4/c1-4-5-8(11)14-10-7(3)13-6(2)9(10)12/h6H,4-5H2,1-3H3
(3)InChIKey: JOLGAERKCZYHLF-UHFFFAOYAY

Product Name

Fraision butyrate

Fraision butyrate Specification

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