CAS 98-86-2|Acetophenone

Introduction:Basic information about CAS 98-86-2|Acetophenone, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
Common NameAcetophenone
CAS Number98-86-2Molecular Weight120.148
Density1.0±0.1 g/cm3Boiling Point202.0±0.0 °C at 760 mmHg
Molecular FormulaC8H8OMelting Point19.6ºC
MSDSChineseUSAFlash Point82.2±0.0 °C
Symbol
GHS07
Signal WordWarning

Names

Nameacetophenone
SynonymMore Synonyms

Acetophenone BiologicalActivity

DescriptionAcetophenone is an organic compound with simple structure[1].
Related CatalogResearch Areas >>OthersSignaling 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.

Chemical & Physical Properties

Density1.0±0.1 g/cm3
Boiling Point202.0±0.0 °C at 760 mmHg
Melting Point19.6ºC
Molecular FormulaC8H8O
Molecular Weight120.148
Flash Point82.2±0.0 °C
Exact Mass120.057518
PSA17.07000
LogP1.66
Vapour density4.1 (vs air)
Vapour Pressure0.3±0.4 mmHg at 25°C
Index of Refraction1.512
InChIKeyKWOLFJPFCHCOCG-UHFFFAOYSA-N
SMILESCC(=O)c1ccccc1
StabilityStable. Incompatible with strong oxidizing agents, strong bases, strong reducing agents. Combustible.
Water Solubility5.5 g/L (20 ºC)

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 WordWarning
Hazard StatementsH302-H319
Precautionary StatementsP305 + P351 + P338
Target OrgansBlood, Central nervous system, Liver
Personal Protective EquipmentEyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
Hazard CodesXn:Harmful;
Risk PhrasesR22;R36
Safety PhrasesS26
RIDADRUN 1593 6.1/PG 3
WGK Germany1
RTECSAM5250000
Packaging GroupI; II; III
HS Code2914391000

Customs

HS Code2914391000
SummaryHS: 2914391000 acetophenone Tax rebate rate:9.0% Supervision conditions:none VAT:17.0% MFN tariff:4.0% General tariff:11.0%

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Synonyms

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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