Acetophenone

Modify Date: 2026-07-01 21:47:51

Acetophenone structure	Common Name	Acetophenone
	CAS Number	98-86-2	Molecular Weight	120.148
	Density	1.0±0.1 g/cm3	Boiling Point	202.0±0.0 °C at 760 mmHg
	Molecular Formula	C₈H₈O	Melting Point	19.6ºC
	MSDS	Chinese USA	Flash Point	82.2±0.0 °C
	Symbol	GHS07	Signal Word	Warning

Use of Acetophenone

Acetophenone is an organic compound with simple structure[1].

Summary: Chinese name: 苯乙酮, English name: acetophenone, CAS number: 98-86-2, molecular formula: C8H8O, molecular weight: 120.148. Appearance: Transparent to light yellow liquid, melting point: 19.6℃, boiling point: 202.0±0.0 °C at 760 mmHg. For research-use only, not for medical or clinical usage.

This table lists Chinese names, IUPAC names and various aliases of this chemical substance.

Name	acetophenone
Synonym	More Synonyms

This table contains bioactivity, target information and biological‑assay experimental data of this compound.

Description	Acetophenone is an organic compound with simple structure[1].
Related Catalog	Research Areas >> Others Signaling Pathways >> Others >> Others
References	[1]. Żymańczyk-Duda E, et al. Reductive capabilities of different cyanobacterial strains towards acetophenone as a model substrate - Prospect of applications for chiral building blocks synthesis. Bioorg Chem. 2019 Feb 25. pii: S0045-2068(18)31467-6.

This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.

Density	1.0±0.1 g/cm3
Boiling Point	202.0±0.0 °C at 760 mmHg
Melting Point	19.6ºC
Molecular Formula	C₈H₈O
Molecular Weight	120.148
Flash Point	82.2±0.0 °C
Exact Mass	120.057518
PSA	17.07000
LogP	1.66
Vapour density	4.1 (vs air)
Vapour Pressure	0.3±0.4 mmHg at 25°C
Index of Refraction	1.512
InChIKey	KWOLFJPFCHCOCG-UHFFFAOYSA-N
SMILES	CC(=O)c1ccccc1
Stability	Stable. Incompatible with strong oxidizing agents, strong bases, strong reducing agents. Combustible.
Water Solubility	5.5 g/L (20 ºC)

This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.

Acetophenone MSDS(Chinese)

This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.

CHEMICAL IDENTIFICATION

RTECS NUMBER :: AM5250000

CHEMICAL NAME :: Acetophenone

CAS REGISTRY NUMBER :: 98-86-2

LAST UPDATED :: 199712

DATA ITEMS CITED :: 22

MOLECULAR FORMULA :: C8-H8-O

MOLECULAR WEIGHT :: 120.16

WISWESSER LINE NOTATION :: 1VR

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: Open irritation test

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

TYPE OF TEST :: Open irritation test

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

TYPE OF TEST :: Standard Draize test

ROUTE OF EXPOSURE :: Administration into the eye

SPECIES OBSERVED :: Rodent - rabbit

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 815 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LC - Lethal concentration

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: >210 ppm/8H

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 740 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 200 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 330 mg/kg

TOXIC EFFECTS :: Behavioral - somnolence (general depressed activity)

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 15900 uL/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - guinea pig

DOSE/DURATION :: >20 mL/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Mammal - species unspecified

DOSE/DURATION :: 2700 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LC50 - Lethal concentration, 50 percent kill

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Mammal - species unspecified

DOSE/DURATION :: 1200 mg/m3

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

MUTATION DATA

TYPE OF TEST :: Cytogenetic analysis

TEST SYSTEM :: Rodent - hamster Lung

DOSE/DURATION :: 600 mg/L

REFERENCE :: ESKHA5 Eisei Shikenjo Hokoku. Bulletin of the Institute of Hygienic Sciences. (Kokuritsu Eisei Shikenjo Kagaku, 18-1 Bushitsu Johobu, Setagaya-ku, Tokyo 158, Japan) V.1- 1886- Volume(issue)/page/year: (103),64,1985 *** REVIEWS *** ACGIH TLV-TWA 49 mg/m3 (10 ppm) DTLVS* The Threshold Limit Values (TLVs) and Biological Exposure Indices (BEIs) booklet issues by American Conference of Governmental Industrial Hygienists (ACGIH), Cincinnati, OH, 1996 Volume(issue)/page/year: TLV/BEI,1997 *** OCCUPATIONAL EXPOSURE LIMITS *** OEL-HUNGARY:TWA 15 mg/m3;STEL 30 mg/m3;Skin JAN 1993 OEL-RUSSIA:STEL 5 mg/m3;Skin JAN 1993 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 80265 No. of Facilities: 4433 (estimated) No. of Industries: 48 No. of Occupations: 61 No. of Employees: 78624 (estimated) No. of Female Employees: 31148 (estimated)

This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.

Symbol	GHS07
Signal Word	Warning
Hazard Statements	H302-H319
Precautionary Statements	P305 + P351 + P338
Target Organs	Blood, Central nervous system, Liver
Personal Protective Equipment	Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
Hazard Codes	Xn:Harmful;
Risk Phrases	R22;R36
Safety Phrases	S26
RIDADR	UN 1593 6.1/PG 3
WGK Germany	1
RTECS	AM5250000
Packaging Group	I; II; III
HS Code	2914391000

This table lists upstream starting materials and downstream derivative products related to this chemical.

Precursor 0
DownStream 10
CAS#:104960-49-8 6-phenyl-2-sulf... CAS#:109559-47-9 2-phenyl-1,10-p... CAS#:10282-18-5 2-METHYL-2,3-DI... CAS#:111607-61-5 4-[5-(4-methylp...
CAS#:10192-93-5 3,4-dimethyl-3,... CAS#:1565-75-9 Benzenemethanol... CAS#:10205-69-3 6-methoxy-2-phe... CAS#:104960-56-7 3-amino-6-pheny...
CAS#:106700-04-3 2-chloro-N-(2-m... CAS#:107044-99-5 2-[4-[(Z)-(3-me...

This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.

HS Code	2914391000
Summary	HS: 2914391000 acetophenone Tax rebate rate:9.0% Supervision conditions:none VAT:17.0% MFN tariff:4.0% General tariff:11.0%

This table lists relevant public references with title, journal and publication metadata for this compound.

Convenient QSAR model for predicting the complexation of structurally diverse compounds with β-cyclodextrins

Bioorg. Med. Chem. 17 , 896-904, (2009)

This paper reports a QSAR study for predicting the complexation of a large and heterogeneous variety of substances (233 organic compounds) with beta-cyclodextrins (beta-CDs). Several different theoret...

Calculating virtual log P in the alkane/water system (log P(N)(alk)) and its derived parameters deltalog P(N)(oct-alk) and log D(pH)(alk).

J. Med. Chem. 48 , 3269-79, (2005)

Growing interest in the use of both the logarithm of the partition coefficient of the neutral species in the alkane/water system (log P(N)(alk)) and the difference between log P(N)(oct) (the logarithm...

One-pot synthesis of 2-phenylimidazo[1,2-α]pyridines from acetophenone, [Bmim]Br(3) and 2-aminopyridine under solvent-free conditions.

Molecules 17(11) , 13368-75, (2012)

One-pot synthesis of 2-phenylimidazo[1,2-α]pyridines from acetophenone, [Bmim]Br(3) and 2-aminopyridine under solvent-free conditions in the presence of Na(2)CO(3), gave the corresponding 2-phenylimid...

This table contains target information, in‑vitro & in‑vivo assay data for this compound.

Name: Phytotoxicity against Lolium multiflorum (Italian ryegrass) assessed as inhibition of...
Source: ChEMBL
Target: Lolium multiflorum
External Id: CHEMBL3083470

Name: Cytochrome P450 Family 1 Subfamily A Member 2 (CYP1A2) small molecule antagonists: lu...
Source: 824
External Id: CYP273

Name: Inhibition of GSK3-beta by liquid scintillation counting
Source: ChEMBL
Target: Glycogen synthase kinase-3 beta
External Id: CHEMBL1042446

Name: Phytotoxicity against Trifolium pratense (red clover) assessed as inhibition of root ...
Source: ChEMBL
Target: Trifolium pratense
External Id: CHEMBL3082977

Name: CHCl3-water partition coefficient, log P of the compound
Source: ChEMBL
Target: N/A
External Id: CHEMBL3256049

Name: Phytotoxicity against Trifolium pratense (red clover) assessed as inhibition of shoot...
Source: ChEMBL
Target: Trifolium pratense
External Id: CHEMBL3082978

Name: Phytotoxicity against Physalis ixocarpa assessed as inhibition of root development du...
Source: ChEMBL
Target: Physalis ixocarpa
External Id: CHEMBL3082979

Name: Hydrogen-bond basicity, pKHB of the compound
Source: ChEMBL
Target: N/A
External Id: CHEMBL3256051

Name: Phytotoxicity against Physalis ixocarpa assessed as inhibition of shoot development d...
Source: ChEMBL
Target: Physalis ixocarpa
External Id: CHEMBL3082980

Name: Octanol-water partition coefficient, log P of the compound
Source: ChEMBL
Target: N/A
External Id: CHEMBL3256050

Total 253, Current Page 1 of 26

This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.

Ethanone,1-phenyl

Oxophenylethane

Acetophenon

Phenyl methyl ketone

1VR

1-Phenylethanone

MFCD00008724

EINECS 202-708-7

Methyl phenyl ketone

Acetophenone

acetylbenzene

This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.

Q: What are the downstream products of acetophenone?

A: Related downstream products(CAS) of acetophenone: 104960-49-8;109559-47-9;10282-18-5;111607-61-5;10192-93-5;1565-75-9;10205-69-3;104960-56-7;106700-04-3;107044-99-5.

Q: What English synonyms does acetophenone have?

A: English synonyms of acetophenone: Ethanone,1-phenyl, Oxophenylethane, Acetophenon, Phenyl methyl ketone, 1VR, 1-Phenylethanone, MFCD00008724, EINECS 202-708-7, Methyl phenyl ketone, Acetophenone, acetylbenzene.

Q: What is the molecular formula of acetophenone?

A: Molecular formula of acetophenone is C8H8O.

Q: What is the melting point of acetophenone?

A: Melting point of acetophenone is 19.6ºC.

Q: What is the safety information for acetophenone?

A: Safety information for acetophenone: S26.

Q: How is the water solubility of acetophenone?

A: Water solubility of acetophenone: 5.5 g/L (20 ºC).

Q: What is the CAS number of acetophenone?

A: CAS number of acetophenone is 98-86-2.

Q: What is the LogP of acetophenone?

A: LogP of acetophenone is 1.66.

Q: What is the boiling point of acetophenone?

A: Boiling point of acetophenone is 202.0±0.0 °C at 760 mmHg.

Q: What are the uses of acetophenone?

A: Main uses of acetophenone: Acetophenone is an organic compound with simple structure[1].

This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.

Shanghai Nianxing Industrial Co., Ltd

Dayang Chem (Hangzhou) Co., Ltd.

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Shanghai Nianxing Industrial Co., Ltd
China
Product Name: Acetophenone
Price: Check
Purity: 99.0%
Delivery: 10 Day
Contact: Yang
Email: sales@echemcloud.com

Dayang Chem (Hangzhou) Co., Ltd.
China
Product Name: Acetophenone
Price: $Inquiry/100g $Inquiry/1kg $Inquiry/100kg $Inquiry/1000kg
Purity: 98.0%
Delivery: Inquiry
Contact: Ms Wang
Email: enquiry@dycnchem.com

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