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  • 4-Hydroxypropiophenone
Name:4-Hydroxypropiophenone
CAS No:70-70-2

PRODUCT DESCRIPTION

【Name】
4'-Hydroxypropiophenone
【Iupac name】
1-(4-hydroxyphenyl)propan-1-one
【CAS Registry number】
70-70-2
【Synonyms】
Paroxypropione
4-Hydroxypropiophenone
p-Methylbenzoic Acid Methyl Ether
P-HYDROXYPROPIOPHENONE
P-HYDROXYL PROPIOPHENONE
P-METHOXYACETOPHENONE
PARA METHOXY ACETOPHENONE
VANATONE
1-(4-hydroxyphenyl)-1-propanon
1-(4-Hydroxyphenyl)-1-propanone
(4-Hydroxyphenyl)-1-propanone
【EINECS(EC#)】
200-743-2
【Molecular Formula】
C9H10O2 (Products with the same molecular formula)
【Molecular Weight】
150.17
【Inchi】
InChI=1/C9H10O2/c1-2-9(11)7-3-5-8(10)6-4-7/h3-6,10H,2H2,1H3
【InChIKey】
RARSHUDCJQSEFJ-UHFFFAOYSA-N
【Canonical SMILES】
CCC(=O)C1=CC=C(C=C1)O
【MOL File】
70-70-2.mol

Chemical and Physical Properties

【Appearance】
white crystals
【Density】
1.104 g/cm3
【Melting Point】
148-152℃
【Boiling Point】
152-154 °C at 26 mm Hg(lit.)
【Refractive Index】
1.542
【Flash Point】
180℃
【Water】
0.34 g/l (15℃)
【Solubilities】
0.34 g/l (15 °C) in water
【HS Code】
29145000
【Computed Properties】
Molecular Weight:150.1745 [g/mol]
Molecular Formula:C9H10O2
XLogP3:2
H-Bond Donor:1
H-Bond Acceptor:2
Rotatable Bond Count:2
Tautomer Count:7
Exact Mass:150.06808
MonoIsotopic Mass:150.06808
Topological Polar Surface Area:37.3
Heavy Atom Count:11
Formal Charge:0
Complexity:135
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 Donor Count:1
Feature 3D Hydrophobe Count:1
Feature 3D Ring Count:1
Effective Rotor Count:2
Conformer Sampling RMSD:0.4
CID Conformer Count:9

Safety and Handling

【Hazard Codes】


【Risk Statements】

R36/37/38
【Safety Statements 】
S24/25
【Safety】

Hazard Codes: Xn,?Xi 
Risk Statements: 36/37/38?
R36/37/38:Irritating to eyes, respiratory system and skin. 
Safety Statements: 37-24/25-36-26?
S37:Wear suitable gloves.?
S24/25:Avoid contact with skin and eyes.?
S36:Wear suitable protective clothing.?
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
WGK Germany: 3
RTECS: UH1925000
HS Code: 29145000 
Hazardous Substances Data: 70-70-2(Hazardous Substances Data) 
Poison by intraperitoneal, subcutaneous, and parenteral routes. An experimental teratogen. Other experimental reproductive effects. A flammable liquid. When heated to decomposition it emits acrid smoke and irritating fumes. See also KETONES.

【Transport】
25kgs
【Specification】

?Paroxypropione (CAS NO.70-70-2) is also named as 1-(4-Hydroxyphenyl)-1-propanone ; 1-(p-Hydroxyphenyl)-1-propanone ; 4-08-00-00441 (Beilstein Handbook Reference) ; 4-Hydroxypropiophenone ; 4-Propionylphenol ; AI3-03719 ; B 360 ;?Ethyl p-hydroxyphenyl ketone ; Frenantol ; Frenohypon ; Frenon ; Frenormon ; H 365 ; Paroxipropiona ; Paroxipropiona [INN-Spanish] ; Paroxon ; Possipione ; Profenone ; Proxiphenon ; Sterofenon ; UNII-X9952001TG ; USAF EK-3302 ; p-Hydroxyphenyl-1-propanone ; p-Hydroxypropiophenone ; p-Oxypropiophenone ; p-Propionylphenol ; p-Propiophenol .?Paroxypropione (CAS NO.70-70-2) is white powder. It is?slightly soluble in water, soluble in boiling water, with alcohol, ether immiscibility.

【Report】

Reported in EPA TSCA Inventory.

Use and Manufacturing

【Usage】
Intermediates of Liquid Crystals

Biomedical Effects and Toxicity

【Therapeutic Uses】
Intermediates of Liquid Crystals

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