CAS No.4407-36-7,3-Phenyl-2-propen-1-ol Suppliers

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Basic Information

Molecular Structure:
CAS No.:	4407-36-7
Name:	3-Phenyl-2-propen-1-ol
Article Data:	523

Formula:	C₉H₁₀O
Molecular Weight:	134.178
Synonyms:	2-Propen-1-ol, 3-phenyl-, (E)-;(E)-Cinnamyl alcohol;(E)-3-Phenylprop-2-en-1-ol;(E)-3-Phenyl-2-propen-1-ol;
Density:	1.049 g/cm³
Melting Point:	34°C
Boiling Point:	249.999 °C at 760 mmHg
Flash Point:	124.762 °C
Solubility:	Practically insoluble in water
PSA:	20.23000
LogP:	1.69210

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Specification

The (2E)-3-Phenylprop-2-en-1-ol, with the CAS registry number 4407-36-7, is also known as 2-Propen-1-ol, 3-phenyl-, (2E)-. This chemical's molecular formula is C₉H₁₀O and molecular weight is 134.1751. What's more, its IUPAC name is (E)-3-Phenylprop-2-en-1-ol.

Physical properties about (2E)-3-Phenylprop-2-en-1-ol are: (1)ACD/LogP: 1.58; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.576; (4)ACD/LogD (pH 7.4): 1.576; (5)ACD/BCF (pH 5.5): 9.28; (6)ACD/BCF (pH 7.4): 9.28; (7)ACD/KOC (pH 5.5): 171.47; (8)ACD/KOC (pH 7.4): 171.47; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 20.23 Å²; (13)Index of Refraction: 1.599; (14)Molar Refractivity: 43.677 cm³; (15)Molar Volume: 127.915 cm³; (16)Polarizability: 17.315×10^-24 cm³; (17)Surface Tension: 42.688 dyne/cm; (18)Density: 1.049 g/cm³; (19)Flash Point: 124.762 °C; (20)Enthalpy of Vaporization: 51.485 kJ/mol; (21)Boiling Point: 249.999 °C at 760 mmHg; (22)Vapour Pressure: 0.012 mmHg at 25 °C.

Preparation of (2E)-3-Phenylprop-2-en-1-ol: this chemical is prepared by 3-Phenyl-propenal. The reaction needs reagent Borohydride ultra resin and solvent Methanol. The reaction time is 4 hours with reaction temperature of 20 °C. The yield is about 100 %.

The (2E)-3-Phenylprop-2-en-1-ol can be produced by 3-Phenyl-propenal.

Uses of (2E)-3-Phenylprop-2-en-1-ol: it is used to produce other chemicals. For example, it is used to produce Acetoacetic acid trans-cinnamyl ester. This reaction needs catalyst H-beta Zeolite and solvent Toluene. The reaction time is 8 hours with reaction temperature of 110 °C. The yield is about 95 %.

(2E)-3-Phenylprop-2-en-1-ol can react with Acetoacetic acid ethyl ester to get Acetoacetic acid trans-cinnamyl ester.

You can still convert the following datas into molecular structure:
(1) SMILES: c1ccc(cc1)/C=C/CO
(2) InChI: InChI=1/C9H10O/c10-8-4-7-9-5-2-1-3-6-9/h1-7,10H,8H2/b7-4+
(3) InChIKey: OOCCDEMITAIZTP-QPJJXVBHBG