Acetophenone
Names
[ CAS No. ]:
98-86-2
[ Name ]:
Acetophenone
[Synonym ]:
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
Biological Activity
[Description]:
[Related Catalog]:
[References]
Chemical & Physical Properties
[ 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)
MSDS
Toxicological Information
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)
Safety Information
[ 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 & DownStream
Precursor
DownStream
Customs
[ 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%
Articles
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...