苯乙酮

Description

Acetophenone is identified by CAS 98-86-2, molecular formula C8H8O and molecular weight 120.06 g/mol. UNII RK493WHV10; ChEBI 27632; InChIKey KWOLFJPFCHCOCG-UHFFFAOYSA-N. Boiling Point: 395.1 °F at 760 mmHg (USCG, 1999); Boiling Point: 202.1 °C; Boiling Point: 202.00 to 203.00 °C. @ 760.00 mm Hg.

Identification

CAS Registry Number	98-86-2
PubChem CID	7410
Molecular formula	C8H8O
Molecular weight	120.06 g/mol
IUPAC name	1-phenylethanone
InChIKey	KWOLFJPFCHCOCG-UHFFFAOYSA-N
UNII (FDA)	RK493WHV10
ChEBI ID	CHEBI:27632
FEMA number	2009
JECFA number	806

Computed Descriptors

Molecular Weight	120.15
XLogP3	1.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	120.057514874
Monoisotopic Mass	120.057514874
Topological Polar Surface Area	17.1
Heavy Atom Count	9
Formal Charge	0

Physical & Chemical Properties

Boiling Point	395.1 °F at 760 mmHg (USCG, 1999)
Boiling Point	202.1 °C
Boiling Point	202.00 to 203.00 °C. @ 760.00 mm Hg
Boiling Point	202 °C
Boiling Point	395.1 °F
Boiling Point	202 °C @760 [mm Hg]
Melting Point	67.5 °F (USCG, 1999)
Melting Point	19.4 °C
Melting Point	20 °C
Melting Point	67.5 °F

Physical description & handling notes

• Acetophenone appears as a colorless liquid with a sweet pungent taste and odor resembling the odor of oranges. Freezes under cool conditions. Slightly soluble in water and denser than water. Hence sinks in water. Vapor heavier than air. A mild irritant to skin and eyes. Vapors can be narcotic in high concentrations. Used as a flavoring, solvent, and polymerization catalyst.
• CBI; Liquid
• Liquid that forms crystals at low temperature; [Merck Index]
• Liquid
• COLOURLESS LIQUID OR WHITE CRYSTALS WITH CHARACTERISTIC ODOUR.
• colourless liquid which will solidify at 20 °CC

Regulatory Status

Regulatory & Food Contact	EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT, SOLVENT OR VEHICLE Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Almonds, Flower, Meat, Must No safety concern at current levels of intake when used as a flavouring agent
GHS notification summary	0.1% (2 / 2981)

GHS Hazard Classification

GHS notification summary	0.1% (2 / 2981)
Reported hazard statements	H302, H319, H360, H227, H315, H335, H336, H361

Documented Uses

• Acetophenone is used in perfumery as a fragrance ingredient in soaps, detergents, creams, lotions, and perfumes; as a flavoring agent in foods, nonalcoholic beverages, and tobacco; as a specialty solvent for plastics and resins; as a catalyst for the polymerization of olefins; and in organic syntheses as a photosensitizer.
• Used in textile coatings; [Olson, p. 661] Used in perfumes for orange blossom odor; Also used in organic synthesis and as a polymerization catalyst for olefins; [Merck Index] Used in the past as an analgesic and anesthetic; [ACGIH] Used as a solvent in plastics and resins and a flavoring agent in foods; [HSDB]
• Plastic Composites Manufacturing [Category: Industry]
• Textiles (Printing, Dyeing, or Finishing) [Category: Industry]
• In perfumery to impart an orange-blossom-like odor; catalyst for the polymerization of olefins; in organic syntheses, esp. as photosensitizer.
• It is useful in flavors of grape, cherry and tobacco.

Synonyms

ACETOPHENONE; 98-86-2; 1-Phenylethanone; Methyl phenyl ketone; Phenyl methyl ketone; Acetylbenzene; Hypnone; Ethanone, 1-phenyl-; Benzoyl methide; Acetophenon; 1-phenylethan-1-one; Acetylbenzol; 1-Phenyl-1-ethanone; Benzoylmethide; Acetofenon; Benzene, acetyl-

Frequently Asked Questions

What are the CAS number and molecular formula of Acetophenone?

CAS 98-86-2; molecular formula C8H8O; molecular weight 120.06 g/mol.

What other names is Acetophenone known by?

ACETOPHENONE, 98-86-2, 1-Phenylethanone, Methyl phenyl ketone, Phenyl methyl ketone, Acetylbenzene.

What is the regulatory status of Acetophenone?

Documented regulatory listings: EU Flavoring substances; FDA Substance added to food: FLAVORING AGENT OR ADJUVANT, SOLVENT OR VEHICLE; Flavoring Agents.

Is Acetophenone classified as hazardous?

0.1% of GHS notifications report no hazard classification (2 of 2981).

What are the key physical properties of Acetophenone?

Boiling Point: 395.1 °F at 760 mmHg (USCG, 1999); Boiling Point: 202.1 °C; Boiling Point: 202.00 to 203.00 °C. @ 760.00 mm Hg; Boiling Point: 202 °C.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.