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  • 1-Pentanone, 1-phenyl
Name:1-Pentanone, 1-phenyl
CAS No:1009-14-9

PRODUCT DESCRIPTION

【Name】
1-Pentanone, 1-phenyl-
【Iupac name】
1-phenylpentan-1-one
【CAS Registry number】
1009-14-9
【Synonyms】
Valerophenone(6CI,7CI,8CI)
1-Phenyl-1-pentanone
Butyl phenyl ketone
NSC 58959
Pentanophenone
Phenyl butyl ketone
n-Butyl phenyl ketone
n-Valerophenone
1-phenylpentan-1-one
【EINECS(EC#)】
213-767-3
【Molecular Formula】
C11H14O (Products with the same molecular formula)
【Molecular Weight】
162.23
【Inchi】
InChI=1/C11H14O/c1-2-3-9-11(12)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3
【InChIKey】
XKGLSKVNOSHTAD-UHFFFAOYSA-N
【Canonical SMILES】
CCCCC(=O)C1=CC=CC=C1
【MOL File】
1009-14-9.mol

Chemical and Physical Properties

【Appearance】
colourless liquid
【Density】
0.98
【Melting Point】
-9℃
【Boiling Point】
105-107℃ (5 mmHg)
【Refractive Index】
1.5143-1.5163
【Flash Point】
102℃
【Solubilities】
Insoluble
【Stability】
Stable. Flammable. Incompatible with strong oxidizing agents, acids, bases, plastics.
【Storage temp】
Keep container closed when not in use. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
【Computed Properties】
Molecular Weight:162.22826 [g/mol]
Molecular Formula:C11H14O
XLogP3-AA:3
H-Bond Donor:0
H-Bond Acceptor:1
Rotatable Bond Count:4
Tautomer Count:2
Exact Mass:162.104465
MonoIsotopic Mass:162.104465
Topological Polar Surface Area:17.1
Heavy Atom Count:12
Formal Charge:0
Complexity:134
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:1
Feature 3D Hydrophobe Count:1
Feature 3D Ring Count:1
Effective Rotor Count:4
Conformer Sampling RMSD:0.6
CID Conformer Count:37

Safety and Handling

【Hazard Codes】
Xi
【Risk Statements】
R36/37/38
【Safety Statements 】
S24/25
【Safety】

Hazard Codes: IrritantXi 
Risk Statements: 36/37/38 
R36/37/38: Irritating to eyes, respiratory system and skin. 
Safety Statements: 22-24/25-36-26 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36: Wear suitable protective clothing. 
S22: Do not breathe dust. 
S24/25: Avoid contact with skin and eyes. 
WGK Germany of 1-Pentanone, 1-phenyl- (CAS NO.1009-14-9): 3

【Specification】

 1-Pentanone, 1-phenyl- (CAS NO.1009-14-9), its Synonyms are 1-Phenyl-1-pentanone ; Valerophenone ; Butyl phenyl ketone . It is colourless liquid.

Use and Manufacturing

【Usage】

 1-Pentanone, 1-phenyl- (CAS NO.1009-14-9) is used for intermediates of Liquid Crystals .

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