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CAS No.: | 37593-03-6 |
---|---|
Name: | 4'-N-HEPTYLACETOPHENONE |
Article Data: | 16 |
Molecular Structure: | |
Formula: | C15H22O |
Molecular Weight: | 218.339 |
Synonyms: | 4'-Heptylacetophenone;NSC 172893;p-Heptylacetophenone;p-n-Heptylacetophenone; |
EINECS: | 253-560-5 |
Density: | 0.923 g/cm3 |
Boiling Point: | 325 °C at 760 mmHg |
Flash Point: | 135.8 °C |
Safety: | 24/25 |
PSA: | 17.07000 |
LogP: | 4.40210 |
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The Ethanone,1-(4-heptylphenyl)- is an organic compound with the formula C15H22O. The IUPAC name of this chemical is 1-(4-heptylphenyl)ethanone. With the CAS registry number 37593-03-6, it is also named as 4-Heptylacetophenone. The product's categories are Acetophenones (Building Blocks for Liquid Crystals); Building Blocks for Liquid Crystals; Functional Materials. Besides, it should be stored in a closed cool and ddry place.
Physical properties about Ethanone,1-(4-heptylphenyl)- are: (1)ACD/LogP: 5.31; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.31; (4)ACD/LogD (pH 7.4): 5.31; (5)ACD/BCF (pH 5.5): 6426.41; (6)ACD/BCF (pH 7.4): 6426.41; (7)ACD/KOC (pH 5.5): 18506.95; (8)ACD/KOC (pH 7.4): 18506.95; (9)#H bond acceptors: 1; (10)#Freely Rotating Bonds: 7; (11)Polar Surface Area: 17.07 Å2; (12)Index of Refraction: 1.495; (13)Molar Refractivity: 68.99 cm3; (14)Molar Volume: 236.3 cm3; (15)Polarizability: 27.35×10-24cm3; (16)Surface Tension: 33.3 dyne/cm; (17)Density: 0.923 g/cm3; (18)Flash Point: 135.8 °C; (19)Enthalpy of Vaporization: 56.71 kJ/mol; (20)Boiling Point: 325 °C at 760 mmHg; (21)Vapour Pressure: 0.000237 mmHg at 25°C.
Uses of Ethanone,1-(4-heptylphenyl)-: it can be used to produce 1,3-bis-(4-heptyl-phenyl)-propane-1,3-dione. It will need reagent NaOH. The yield is about 95%.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1ccc(cc1)CCCCCCC)C
(2)InChI: InChI=1/C15H22O/c1-3-4-5-6-7-8-14-9-11-15(12-10-14)13(2)16/h9-12H,3-8H2,1-2H3
(3)InChIKey: UQBRZOXCKKBKDU-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C15H22O/c1-3-4-5-6-7-8-14-9-11-15(12-10-14)13(2)16/h9-12H,3-8H2,1-2H3
(5)Std. InChIKey: UQBRZOXCKKBKDU-UHFFFAOYSA-N