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3',5'-Dimethyl-4'-hydroxyacetophenone

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Name

3',5'-Dimethyl-4'-hydroxyacetophenone

EINECS N/A
CAS No. 5325-04-2 Density 1.08 g/cm3
PSA 37.30000 LogP 2.21160
Solubility N/A Melting Point 151-155 °C(lit.)
Formula C10H12O2 Boiling Point 314.9 °C at 760 mmHg
Molecular Weight 164.204 Flash Point 133.4 °C
Transport Information N/A Appearance N/A
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 5325-04-2 (3,5-Dimethyl-4-hydroxyacetophenone) Hazard Symbols IrritantXi
Synonyms

Acetophenone,4'-hydroxy-3',5'-dimethyl- (6CI,7CI,8CI);3',5'-Dimethyl-4'-hydroxyacetophenone;4-Acetyl-2,6-dimethylphenol;4'-Hydroxy-3',5'-dimethylacetophenone;NSC 109;

Article Data 13

3',5'-Dimethyl-4'-hydroxyacetophenone Specification

This chemical is called 3,5-Dimethyl-4-hydroxyacetophenone, and it can also be named as 4'-hydroxy-3',5'-dimethylacetophenone. With the CAS number of 5325-04-2, its IUPAC name is 1-(4-hydroxy-3,5-dimethylphenyl)ethanone. Usually, its molecular formula is C10H12O2. It is irritating to eyes, respiratory system and skin, so when you are using it, you should wear suitable protective clothing. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice. In addition, the 3,5-Dimethyl-4-hydroxyacetophenone is stable on normal temperature and pressure, and it should be stored at the sealed, cool and dry place. 

Physical properties about this chemical are: (1)ACD/LogP: 2.34; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.34; (4)ACD/LogD (pH 7.4): 2.33; (5)ACD/BCF (pH 5.5): 35.61; (6)ACD/BCF (pH 7.4): 34.48; (7)ACD/KOC (pH 5.5): 448.97; (8)ACD/KOC (pH 7.4): 434.72; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 26.3Å2; (13)Index of Refraction: 1.541; (14)Molar Refractivity: 47.81 cm3; (15)Molar Volume: 151.9 cm3; (16)Polarizability: 18.95×10-24 cm3; (17)Surface Tension: 40.2 dyne/cm; (18)Density: 1.08 g/cm3; (19)Flash Point: 133.4 °C; (20)Enthalpy of Vaporization: 57.82 kJ/mol; (21)Boiling Point: 314.9 °C at 760 mmHg; (22)Vapour Pressure: 0.000245 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1cc(c(O)c(c1)C)C)C
(2)InChI: InChI=1/C10H12O2/c1-6-4-9(8(3)11)5-7(2)10(6)12/h4-5,12H,1-3H3
(3)InChIKey: MUWPKXVVEOGKNO-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C10H12O2/c1-6-4-9(8(3)11)5-7(2)10(6)12/h4-5,12H,1-3H3
(5)Std. InChIKey: MUWPKXVVEOGKNO-UHFFFAOYSA-N

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