Acetophenone CAS#98-86-2

CAS Number: 98-86-2
Chemical Formula: C8H8O
Synonyms:

ACETOPHENONE, 1X1ML, CH2CL2, 2000UG/ML
ACETOPHENONE extrapure AR
METHYL PHENYL KETONE

Appearance: Transperant Liquid

MOQ (Minimum Order Quantity): 1 FCL (Full Container Load)

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Product Details

Acetophenone CAS#98-86-2

Acetophenone is also known as acetyl benzene with the boiling point (℃) being 202.3, relative density (water = 1) being 1.03 (20 ℃) and the relative vapor density (air = 1) being 4.14. It is the simplest aromatic ketones with its aromatic core (benzene ring) being directly connected with a carbonyl group. It is presented in some kinds of essential oils of some plants in its free-state form. It is pure colorless crystals. Most commercially available product appears as pale yellow oily liquid with hawthorn like aroma. It is only slightly soluble in water and is easily soluble in many organic solvents and can be evaporated together with the steam. The molecular structure of acetophenone: methyl C atom is bonded through sp3 hybrid orbital while the benzene ring and the carbonyl C atom are bonded through sp2 hybrid orbital. Addition reaction and [alpha] active hydrogen reaction can occur for the carbonyl group of acetophenone. It can also have electrophilic substitution reaction in its benzene ring with the major product generated being in the meta-position. Acetophenone can be produced from the reaction between benzene with acetyl chloride, acetic anhydride or acetate under the catalysis of aluminum trichloride. Furthermore, when ethylbenzene is catalyzed and oxidized into styrene, it can also generate acetophenone as by-product. Acetophenone is mainly used as the raw materials for pharmaceuticals and other kind of organic synthesis. It can also used for the preparation of spices, soap and cigarettes as well as being used as the solvents of cellulose ether, cellulose ester and resin and plasticizer. It has hypnotic effect. Currently, acetophenone is mostly obtained via the by-product of reaction between phenol and acetone via cumene oxidation. It may be obtained through the acetylation on benzene through acetyl chloride.

Acetophenone Chemical Properties

Melting point	19-20 °C (lit.)
Boiling point	202 °C (lit.)
density	1.03 g/mL at 25 °C (lit.)
vapor density	4.1 (vs air)
vapor pressure	0.45 mm Hg ( 25 °C)
refractive index	n20/D 1.534(lit.)
FEMA	2009 \| ACETOPHENONE
Fp	180 °F
storage temp.	Store below +30°C.
solubility	6.1g/l
form	Liquid
color	Clear colorless to light yellow
Relative polarity	4.4
Odor	Pungent, floral odor
Odor Type	floral
explosive limit	1.4-5.2%(V)
biological source	synthetic
Water Solubility	5.5 g/L (20 ºC)
Merck	14,73
JECFA Number	806
BRN	605842
Exposure limits	No exposure limits are set. The health hazard from exposure to this compound should be low, due to its low vapor pressure and low toxicity.
Dielectric constant	17.4（25℃）
Stability:	Stable. Incompatible with strong oxidizing agents, strong bases, strong reducing agents. Combustible.
Major Application	flavors and fragrances
Cosmetics Ingredients Functions	PERFUMING FRAGRANCE
InChI	1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3
InChIKey	KWOLFJPFCHCOCG-UHFFFAOYSA-N
SMILES	CC(=O)c1ccccc1
LogP	1.65 at 20℃
Surface tension	39.54 mN/m at 283.15K
CAS DataBase Reference	98-86-2(CAS DataBase Reference)
NIST Chemistry Reference	Acetophenone(98-86-2)
EPA Substance Registry System	Acetophenone (98-86-2)

Safety Information

Hazard Codes	Xn,T,F
Risk Statements	22-36-63-43-36/37/38-23/24/25-45-39/23/24/25-11-67-40
Safety Statements	26-36/37-24/25-23-53-45-16-7
RIDADR	UN 1593 6.1/PG 3
WGK Germany	1
RTECS	AM5250000
F	8
Autoignition Temperature	570 °C
TSCA	TSCA listed
HazardClass	9
PackingGroup	III
HS Code	29143900
Storage Class	10 - Combustible liquids
Hazard Classifications	Acute Tox. 4 Oral Eye Irrit. 2
Hazardous Substances Data	98-86-2(Hazardous Substances Data)
Toxicity	LD50 orally in rats: 0.90 g/kg (Smyth, Carpenter)

Product Application of Acetophenone CAS#98-86-2

Methyl phenyl ketone is mainly converted to resins (synthetic resins) by reaction with formaldehyde. It is also used as a photoinitiator for special printing plates as well as for organic syntheses, particularly for pharmaceuticals. Certain derivatives, such as 1-phenylethanol (obtained by hydrogenation) and its acetate, are used as fragrances. Furthermore, methyl phenyl ketone is used for the synthesis of optical brighteners.

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