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4-Hydroxyvalerophenone

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Name

4-Hydroxyvalerophenone

EINECS 219-978-7
CAS No. 2589-71-1 Density 1.055 g/cm3
PSA 37.30000 LogP 2.76510
Solubility N/A Melting Point 62-65 °C
Formula C11H14O2 Boiling Point 358.8 °C at 760 mmHg
Molecular Weight 178.231 Flash Point 137.7 °C
Transport Information N/A Appearance white to light beige powder
Safety 24/25-37/39-26 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 2589-71-1 (4-Hydroxyvalerophenone) Hazard Symbols IrritantXi
Synonyms

Valerophenone,4'-hydroxy- (7CI,8CI);1-(4-Hydroxyphenyl)-1-pentanone;4-Valerylphenol;1-Pentanone,1-(4-hydroxyphenyl)-;NSC 49186;NSC 49321;p-Hydroxyvalerophenone;

Article Data 26

4-Hydroxyvalerophenone Chemical Properties

Molecule structure of 4-Hydroxyvalerophenone (CAS NO.2589-71-1):

IUPAC Name: 1-(4-Hydroxyphenyl)pentan-1-one 
Molecular Weight: 178.22766 g/mol
Molecular Formula: C11H14O2 
Density: 1.055 g/cm3 
Melting Point: 62-65 °C
Boiling Point: 358.8 °C at 760 mmHg 
Flash Point: 137.7 °C
Appreance: white to light beige powder
Molar Volume: 168.9 cm3
Polarizability: 20.63*10-24 cm3
Surface Tension: 40.7 dyne/cm 
Enthalpy of Vaporization: 62.81 kJ/mol
Vapour Pressure: 1.2E-05 mmHg at 25 °C
XLogP3-AA: 2.6
H-Bond Donor: 1
H-Bond Acceptor: 2
Rotatable Bond Count: 4
Tautomer Count: 7
Exact Mass: 178.09938
MonoIsotopic Mass: 178.09938
Topological Polar Surface Area: 37.3
Heavy Atom Count: 13
Complexity: 158
Canonical SMILES: CCCCC(=O)C1=CC=C(C=C1)O
InChI: InChI=1S/C11H14O2/c1-2-3-4-11(13)9-5-7-10(12)8-6-9/h5-8,12H,2-4H2,1H3
InChIKey: ZKCJJGOOPOIZTE-UHFFFAOYSA-N
EINECS: 219-978-7
Product Categories: C11 to C12; Carbonyl Compounds; Ketones

4-Hydroxyvalerophenone Uses

 4-Hydroxyvalerophenone (CAS NO.2589-71-1) is used as intermediates of liquid crystals.

4-Hydroxyvalerophenone Safety Profile

Hazard Codes: IrritantXi
Risk Statements: 36/37/38 
R36/37/38: Irritating to eyes, respiratory system and skin
Safety Statements: 24/25-37/39-26 
S24/25: Avoid contact with skin and eyes 
S37/39: Wear suitable gloves and eye/face protection 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice

4-Hydroxyvalerophenone Specification

 4-Hydroxyvalerophenone (CAS NO.2589-71-1) is also called 1-Pentanone, 1-(4-hydroxyphenyl)- ; 4-Valerylphenol ; AI3-11694 ; NSC 49186 ; Valerophenone, 4'-hydroxy- ; p-Hydroxyvalerophenone ; p-Valerylphenol .

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