CAS No.4112-89-4,FEMA 2535 Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	4112-89-4
Name:	FEMA 2535
Article Data:	3

Formula:	C₁₅H₁₄O₃
Molecular Weight:	242.274
Synonyms:	Aceticacid, phenyl-, o-methoxyphenyl ester (7CI,8CI);2-Methoxyphenyl phenylacetate;Gu-Nyl;Guaiacol phenylacetate;Guaiacyl phenylacetate;Guaiafenolo;Gujaphenyl;
EINECS:	223-898-8
Density:	1.144 g/cm³
Melting Point:	40-43 °C(lit.)
Boiling Point:	354.2 °C at 760 mmHg
Flash Point:	147.5 °C
PSA:	35.53000
LogP:	2.84330

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Specification

The CAS register number of Guaiacyl phenylacetate is 4112-89-4. It also can be called as Guaiacol phenylacetate and the IUPAC name about this chemical is (2-methoxyphenyl) 2-phenylacetate. The molecular formula about this chemical is C₁₅H₁₄O₃ and the molecular weight is 242.27. It belongs to the following product categories which include Alphabetical Listings; Flavors and Fragrances; G-H and so on.

Physical properties about Guaiacyl phenylacetate are: (1)ACD/LogP: 3.12; (2)ACD/LogD (pH 5.5): 3.12; (3)ACD/LogD (pH 7.4): 3.12; (4)ACD/BCF (pH 5.5): 139.51; (5)ACD/BCF (pH 7.4): 139.51; (6)ACD/KOC (pH 5.5): 1193.23; (7)ACD/KOC (pH 7.4): 1193.23; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 5; (10)Polar Surface Area: 35.53Å²; (11)Index of Refraction: 1.562; (12)Molar Refractivity: 68.75 cm³; (13)Molar Volume: 211.7 cm³; (14)Polarizability: 27.25x10^-24cm³; (15)Surface Tension: 41.5 dyne/cm; (16)Enthalpy of Vaporization: 59.93 kJ/mol; (17)Boiling Point: 354.2 °C at 760 mmHg; (18)Vapour Pressure: 3.39E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Oc1ccccc1OC)Cc2ccccc2
(2)InChI: InChI=1/C15H14O3/c1-17-13-9-5-6-10-14(13)18-15(16)11-12-7-3-2-4-8-12/h2-10H,11H2,1H3
(3)InChIKey: KNVYLIIBQXVDKC-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C15H14O3/c1-17-13-9-5-6-10-14(13)18-15(16)11-12-7-3-2-4-8-12/h2-10H,11H2,1H3
(5)Std. InChIKey: KNVYLIIBQXVDKC-UHFFFAOYSA-N