Acetophenone

Modify Date: 2024-01-02 09:33:13

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].

Name	acetophenone
Synonym	More Synonyms

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.

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
Stability	Stable. Incompatible with strong oxidizing agents, strong bases, strong reducing agents. Combustible.
Water Solubility	5.5 g/L (20 ºC)

Acetophenone MSDS(Chinese)

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)

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

Precursor 0
DownStream 10
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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%

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...

Ethanone,1-phenyl

Oxophenylethane

Acetophenon

Phenyl methyl ketone

Ethanone, 1-phenyl-

1VR

Benzene, acetyl-

1-Phenylethanone

MFCD00008724

EINECS 202-708-7

Methyl phenyl ketone

Acetophenone

acetylbenzene

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Product Name: Acetophenone
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