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Acetophenone information


Acetophenone
Skeletal formula of the acetophenone molecule
Ball-and-stick model of the acetophenone molecule
Ball-and-stick model of the acetophenone molecule
Space-filling model of the acetophenone molecule
Space-filling model of the acetophenone molecule
sample of acetophenone
Names
Preferred IUPAC name
1-Phenylethan-1-one[1]
Other names
Acetophenone
Phenylethanone
Methyl phenyl ketone
Identifiers
CAS Number
  • 98-86-2 checkY
3D model (JSmol)
  • Interactive image
  • Interactive image
Abbreviations ACP
ChEBI
  • CHEBI:27632 checkY
ChEMBL
  • ChEMBL274467 checkY
ChemSpider
  • 7132 checkY
DrugBank
  • DB04619 checkY
ECHA InfoCard 100.002.462 Edit this at Wikidata
EC Number
  • 202-708-7
KEGG
  • C07113 checkY
PubChem CID
  • 7410
RTECS number
  • AM5250000
UNII
  • RK493WHV10 checkY
UN number 1993
CompTox Dashboard (EPA)
  • DTXSID6021828 Edit this at Wikidata
InChI
  • InChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3 checkY
    Key: KWOLFJPFCHCOCG-UHFFFAOYSA-N checkY
  • InChI=1/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3
    Key: KWOLFJPFCHCOCG-UHFFFAOYAT
SMILES
  • O=C(c1ccccc1)C
  • CC(=O)c1ccccc1
Properties
Chemical formula
C8H8O
Molar mass 120.151 g·mol−1
Density 1.028 g/cm3
Melting point 19–20 °C (66–68 °F; 292–293 K)
Boiling point 202 °C (396 °F; 475 K)
Solubility in water
5.5 g/L at 25 °C
12.2 g/L at 80 °C
Magnetic susceptibility (χ)
-72.05·10−6 cm3/mol
Hazards
GHS labelling:
Pictograms
GHS07: Exclamation mark
Signal word
Warning
Hazard statements
H302, H319
Precautionary statements
P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, P501
NFPA 704 (fire diamond)
NFPA 704 four-colored diamondHealth 1: Exposure would cause irritation but only minor residual injury. E.g. turpentineFlammability 2: Must be moderately heated or exposed to relatively high ambient temperature before ignition can occur. Flash point between 38 and 93 °C (100 and 200 °F). E.g. diesel fuelInstability 0: Normally stable, even under fire exposure conditions, and is not reactive with water. E.g. liquid nitrogenSpecial hazards (white): no code
1
2
0
Flash point 77 °C (171 °F; 350 K)
Safety data sheet (SDS) MSDS
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
checkY verify (what is checkY☒N ?)
Infobox references

Acetophenone is the organic compound with the formula C6H5C(O)CH3. It is the simplest aromatic ketone. This colorless, viscous liquid is a precursor to useful resins and fragrances.[2]

  1. ^ Nomenclature of Organic Chemistry : IUPAC Recommendations and Preferred Names 2013 (Blue Book). Cambridge: The Royal Society of Chemistry. 2014. p. 723. doi:10.1039/9781849733069-00648. ISBN 978-0-85404-182-4. The names acetophenone and benzophenone are retained only for general nomenclature, but no substitution is allowed.
  2. ^ Siegel, Hardo; Eggersdorfer, Manfred. "Ketones". Ullmann's Encyclopedia of Industrial Chemistry. Weinheim: Wiley-VCH. doi:10.1002/14356007.a15_077. ISBN 978-3527306732.

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Acetophenone

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Acetophenone is the organic compound with the formula C6H5C(O)CH3. It is the simplest aromatic ketone. This colorless, viscous liquid is a precursor to...

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Acetophenone carboxylase

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Acetophenone carboxylase (EC 6.4.1.8) is an enzyme with systematic name acetophenone:carbon-dioxide ligase (ADP-forming). This enzyme catalyses the following...

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Hydroxyacetophenone

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Hydroxyacetophenone may refer to: 2-Hydroxyacetophenone (o-hydroxyacetophenone) 3-Hydroxyacetophenone (m-hydroxyacetophenone) 4-Hydroxyacetophenone (p...

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Piceol

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Piceol is a phenolic compound found in the needles and in mycorrhizal roots of Norway spruces (Picea abies). Picein is the glucoside of piceol. Piceol...

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CN

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nervous system Cranial nerves, CN 0 to CN XII CN gas, a substituted acetophenone used as a riot control agent Copernicium, symbol Cn, a chemical element...

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Phenacyl chloride

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chloride, also commonly known as chloroacetophenone, is a substituted acetophenone. It is a useful building block in organic chemistry. Apart from that...

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Phenacyl bromide

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precursor to other organic compounds. It is prepared by bromination of acetophenone: C6H5C(O)CH3 + Br2 → C6H5C(O)CH2Br + HBr The compound was first reported...

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Tetramethyl acetyloctahydronaphthalenes

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synthetic ketone fragrance also known as OTNE (octahydrotetramethyl acetophenone) and by other commercial trade names such as: Iso E Super, Iso Gamma...

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Castoreum

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activity, of which the phenols 4-ethylphenol and catechol and the ketones acetophenone and 3-hydroxyacetophenone are strongest. Five additional compounds elicit...

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C8H8O

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C8H8O (molar mass: 120.15 g/mol, exact mass: 120.057515 u) may refer to: Acetophenone Methylbenzaldehydes 2-Methylbenzaldehyde 3-Methylbenzaldehyde 4-Methylbenzaldehyde...

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Hydride

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6 H 5 C ( O ) CH 3 acetophenone + KH potassium hydride ⟶ C 6 H 5 C ( O ) CH 2 K + H 2 {\displaystyle {\ce {{\overset {acetophenone}{C6H5C(O)CH3}}{}+ {\overset...

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Willgerodt rearrangement

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concentrated ammonium hydroxide and pyridine) is the conversion of acetophenone to 2-phenylacetamide and phenylacetic acid The related Willgerodt–Kindler...

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Cumene hydroperoxide

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Products of decomposition of cumene hydroperoxide are methylstyrene, acetophenone, and 2-Phenyl-2-propanol. It is produced by treatment of cumene with...

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Perfume

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of perfumes may cause allergic reactions of the skin. For instance, acetophenone, ethyl acetate[citation needed] and acetone while present in many perfumes...

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Acetanisole

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anisole. Other names It can also be seen as a methyl ether analog of acetophenone. Acetanisole is found naturally in castoreum, the glandular secretion...

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Methaqualone

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Mecloqualone Methaqualone Methylmethaqualone Nitromethaqualone SL-164 Others Acetophenone Acetylglycinamide chloral hydrate Bromide compounds Lithium bromide Potassium...

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Acrylophenone

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is an organic compound with the formula C9H8O. It is prepared using acetophenone, formaldehyde, and an amine hydrochloride in a Mannich reaction. It can...

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Pentobarbital

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Mecloqualone Methaqualone Methylmethaqualone Nitromethaqualone SL-164 Others Acetophenone Acetylglycinamide chloral hydrate Bromide compounds Lithium bromide Potassium...

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Sedative

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Mecloqualone Methaqualone Methylmethaqualone Nitromethaqualone SL-164 Others Acetophenone Acetylglycinamide chloral hydrate Bromide compounds Lithium bromide Potassium...

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Acetic anhydride

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accelerate the reaction. Illustrative are the conversions of benzene to acetophenone and ferrocene to acetylferrocene: (C5H5)2Fe + (CH3CO)2O → (C5H5)Fe(C5H4COCH3)...

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Lorazepam

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Mecloqualone Methaqualone Methylmethaqualone Nitromethaqualone SL-164 Others Acetophenone Acetylglycinamide chloral hydrate Bromide compounds Lithium bromide Potassium...

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Nicotinamide

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Methylmethaqualone Nitromethaqualone SL-164 Volatiles/gases Acetone Acetophenone Acetylglycinamide chloral hydrate Aliflurane Benzene Butane Butylene...

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Zolpidem

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Mecloqualone Methaqualone Methylmethaqualone Nitromethaqualone SL-164 Others Acetophenone Acetylglycinamide chloral hydrate Bromide compounds Lithium bromide Potassium...

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Barbiturate

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Mecloqualone Methaqualone Methylmethaqualone Nitromethaqualone SL-164 Others Acetophenone Acetylglycinamide chloral hydrate Bromide compounds Lithium bromide Potassium...

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Amitriptyline

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Mecloqualone Methaqualone Methylmethaqualone Nitromethaqualone SL-164 Others Acetophenone Acetylglycinamide chloral hydrate Bromide compounds Lithium bromide Potassium...

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Diazepam

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Methylmethaqualone Nitromethaqualone SL-164 Volatiles/gases Acetone Acetophenone Acetylglycinamide chloral hydrate Aliflurane Benzene Butane Butylene...

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