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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 | Hazard Symbols | Xi | |
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 |
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 (CAS NO.2589-71-1) is used as intermediates of liquid crystals.
Hazard Codes: Xi
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 (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 .