CAS No.623-19-8,FEMA 3346 Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	623-19-8
Name:	FEMA 3346
Article Data:	5

Formula:	C₈H₁₀O₃
Molecular Weight:	154.166
Synonyms:	2-Furanmethanol,propanoate (9CI);Furfuryl alcohol, propionate (7CI,8CI);2-Furanmethanolpropionate;Furfuryl propanoate;Furfuryl propionate;NSC 35556;
EINECS:	210-776-4
Density:	1.089 g/cm³
Boiling Point:	195.5 °C at 760 mmHg
Flash Point:	81.7 °C
Appearance:	Oily liquid which darkens on exposure to light, green banana odour
Safety:	24/25
PSA:	39.44000
LogP:	1.73280

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Specification

The 2-Furanmethanol, 2-propanoate, with the CAS registry number of 623-19-8, is also known as FEMA 3346 and Furfuryl alcohol propionate. It belongs to the product categories of Alphabetical Listings; E-F; Flavors and Fragrances. Its EINECS registry number is 210-776-4. This chemical's molecular formula is C₈H₁₀O₃ and molecular weight is 154.16. What's more, its IUPAC name is Furan-2-ylmethyl propanoate.

Physical properties about 2-Furanmethanol, 2-propanoate are: (1)ACD/LogP: 1.62; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.62; (4)ACD/LogD (pH 7.4): 1.62; (5)ACD/BCF (pH 5.5): 10.05; (6)ACD/BCF (pH 7.4): 10.05; (7)ACD/KOC (pH 5.5): 181.6; (8)ACD/KOC (pH 7.4): 181.6; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 39.44 Å²; (13)Index of Refraction: 1.465; (14)Molar Refractivity: 39.14 cm³; (15)Molar Volume: 141.5 cm³; (16)Polarizability: 15.51×10^-24 cm³; (17)Surface Tension: 34.1 dyne/cm; (18)Density: 1.089 g/cm³; (19)Flash Point: 81.7 °C; (20)Enthalpy of Vaporization: 43.17 kJ/mol; (21)Boiling Point: 195.5 °C at 760 mmHg; (22)Vapour Pressure: 0.418 mmHg at 25°C.

Uses: it is used to produce other chemicals. For example, it is used to produce C₉H₁₁O₇S^-Na⁺. This reaction needs three steps, the reaction conditions are 1.)0-4 °C, 96 h; 2.)Na₂CO₃, 3.) 40 % Sodium bisulfite. The yield is about 83.1 %.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OCc1occc1)CC
(2) InChI: InChI=1/C8H10O3/c1-2-8(9)11-6-7-4-3-5-10-7/h3-5H,2,6H2,1H3
(3) InChIKey: LGBXNZSSTFWRFS-UHFFFAOYAI