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7149-32-8

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Basic Information
CAS No.: 7149-32-8
Name: FEMA 2865
Molecular Structure:
Molecular Structure of 7149-32-8 (FEMA 2865)
Formula: C13H12O3
Molecular Weight: 216.236
Synonyms: 2-Phenylethyl2-furoate;AI 3-36016;NSC 72034;
Density: 1.154 g/cm3
Boiling Point: 334 °C at 760 mmHg
Flash Point: 155.8 °C
Appearance: Colourless liquid; Warm, fruity-caramel, slightly earthy, oily aroma
PSA: 39.44000
LogP: 2.67910
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Specification

The 2-Furancarboxylic acid, 2-phenylethyl ester, with the CAS registry number 7149-32-8, is also known as 2-Phenylethyl 2-furoate. It belongs to the product categories of Aromatic Esters; Alphabetical Listings; Flavors and Fragrances; O-P. This chemical's molecular formula is C13H12O3 and molecular weight is 216.23. What's more, its IUPAC name is 2-Phenylethyl furan-2-carboxylate. In addition, this chemical's classification codes are Agricultural Chemical; Insecticide; Skin / Eye Irritant.

Physical properties about 2-Furancarboxylic acid, 2-phenylethyl ester are: (1)ACD/LogP: 3.01; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 39.44 Å2; (7)Index of Refraction: 1.547; (8)Molar Refractivity: 59.44 cm3; (9)Molar Volume: 187.3 cm3; (10)Polarizability: 23.56×10-24 cm3; (11)Surface Tension: 42.4 dyne/cm; (12)Density: 1.154 g/cm3; (13)Flash Point: 155.8 °C; (14)Enthalpy of Vaporization: 57.69 kJ/mol; (15)Boiling Point: 334 °C at 760 mmHg; (16)Vapour Pressure: 0.000132 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OCCc1ccccc1)c2occc2
(2) InChI: InChI=1/C13H12O3/c14-13(12-7-4-9-15-12)16-10-8-11-5-2-1-3-6-11/h1-7,9H,8,10H2
(3) InChIKey: QKPSYARWSBJEDY-UHFFFAOYAG

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LDLo oral 216mg/kg (216mg/kg)   National Technical Information Service. Vol. AD-A084-946,