CAS No.1671-75-6,HEPTANOPHENONE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	1671-75-6
Name:	HEPTANOPHENONE
Article Data:	119

Formula:	C₁₃H₁₈O
Molecular Weight:	190.285
Synonyms:	Heptanophenone(6CI,7CI,8CI);1-Oxo-1-phenylheptane;1-Phenyl-1-heptanone;1-Phenylheptanone;Enanthophenone;Hexyl phenyl ketone;n-Hexyl phenyl ketone;
EINECS:	216-802-0
Density:	0.935 g/cm³
Melting Point:	17 °C(lit.)
Boiling Point:	283.3 °C at 760 mmHg
Flash Point:	111.2 °C
Appearance:	clear slightly yellow to yellow liquid
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-37/39
PSA:	17.07000
LogP:	3.83970

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Specification

This chemical is called 1-Heptanone, 1-phenyl-, and it can also be named as 1-phenylheptan-1-one. With the CAS registry number of 1671-75-6, its product categories are C13 to C14; Carbonyl Compounds; Ketones. In addition, this chemical should be sealed in the cool and dry plcace, away from oxides.

Other characteristics of the 1-Heptanone, 1-phenyl- can be summarised as followings: (1)ACD/LogP: 4.32; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.32; (4)ACD/LogD (pH 7.4): 4.32; (5)ACD/BCF (pH 5.5): 1133.66; (6)ACD/BCF (pH 7.4): 1133.66; (7)ACD/KOC (pH 5.5): 5345.63; (8)ACD/KOC (pH 7.4): 5345.63; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 17.07 Å²; (13)Index of Refraction: 1.495; (14)Molar Refractivity: 59.44 cm³; (15)Molar Volume: 203.4 cm³; (16)Polarizability: 23.56×10^-24cm³; (17)Surface Tension: 33.9 dyne/cm; (18)Density: 0.935 g/cm³; (19)Flash Point: 111.2 °C; (20)Enthalpy of Vaporization: 52.22 kJ/mol; (21)Boiling Point: 283.3 °C at 760 mmHg; (22)Vapour Pressure: 0.00319 mmHg at 25°C.

Production method of this chemical: The 1-Heptanone, 1-phenyl- could be obtained by the reactant of 1-phenyl-heptan-1-ol. This reaction needs the reagent of CuBr₂-LiOBut, and the solvent of tetrahydrofuran. The yield is 93 %. In addition, this reaction should be taken for 0.25 hour at ambient temperature.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(c1ccccc1)CCCCCC
2.InChI: InChI=1/C13H18O/c1-2-3-4-8-11-13(14)12-9-6-5-7-10-12/h5-7,9-10H,2-4,8,11H2,1H3
3.InChIKey: UXMQORVHJMUQFD-UHFFFAOYAG