2,4-Pentandione

Names

[ CAS No. ]:
123-54-6

[ Name ]:
2,4-Pentandione

[Synonym ]:
EINECS 204-634-0
Acetone, acetyl-
2,4-Dioxopentane
Acetylaeetone
Diacetylmethane
MeC(O)CH2C(O)Me
acetyl
Acetyl-propanone-2
MFCD00008787
2,4-Pentadione
2,4-Pentanedione
pentan-2,4-dione
Axetacetone
ACAC
FEMA 2841
Pentanedione
Acetylactone
acetylaceton
CH3-CO-CH2-CO-CH3
acetoacetone
Pentane-2,4-dione
Hacac
2,4-pentandione
acetyl-aceton
CH3COCH2COCH3
Acetylacetone
1V1V1

Chemical & Physical Properties

[ Density]:
1.0±0.1 g/cm3

[ Boiling Point ]:
138.4±13.0 °C at 760 mmHg

[ Melting Point ]:
-23 °C

[ Molecular Formula ]:
C₅H₈O₂

[ Molecular Weight ]:
100.116

[ Flash Point ]:
43.1±16.8 °C

[ Exact Mass ]:
100.052429

[ PSA ]:
34.14000

[ LogP ]:
0.34

[ Vapour density ]:
3.5 (vs air)

[ Vapour Pressure ]:
6.7±0.3 mmHg at 25°C

[ Index of Refraction ]:
1.395

[ Water Solubility ]:
16 g/100 mL (20 ºC)

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: SA1925000

CHEMICAL NAME :: 2,4-Pentanedione

CAS REGISTRY NUMBER :: 123-54-6

BEILSTEIN REFERENCE NO. :: 0741937

LAST UPDATED :: 199710

DATA ITEMS CITED :: 22

MOLECULAR FORMULA :: C5-H8-O2

MOLECULAR WEIGHT :: 100.13

WISWESSER LINE NOTATION :: 1V1V1

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 :: 55 mg/kg

TOXIC EFFECTS :: Behavioral - somnolence (general depressed activity) Behavioral - rigidity (including catalepsy)

TYPE OF TEST :: LCLo - Lowest published lethal concentration

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 1000 ppm/4H

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

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 400 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 :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 951 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 :: 750 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 :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 810 uL/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 :: 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 :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 10 gm/kg/2W-I

TOXIC EFFECTS :: Nutritional and Gross Metabolic - weight loss or decreased weight gain

TYPE OF TEST :: TCLo - Lowest published toxic concentration

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 805 ppm/6H/9D-I

TOXIC EFFECTS :: Endocrine - changes in thymus weight Nutritional and Gross Metabolic - weight loss or decreased weight gain

TYPE OF TEST :: TCLo - Lowest published toxic concentration

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 650 ppm/6H/14W-I

TOXIC EFFECTS :: Brain and Coverings - other degenerative changes Brain and Coverings - changes in brain weight Blood - changes in serum composition (e.g. TP, bilirubin, cholesterol)

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 6 gm/kg/12D-I

TOXIC EFFECTS :: Brain and Coverings - other degenerative changes Spinal Cord - other degenerative changes Related to Chronic Data - death

TYPE OF TEST :: TCLo - Lowest published toxic concentration

ROUTE OF EXPOSURE :: Inhalation

DOSE :: 398 ppm/6H

SEX/DURATION :: female 6-15 day(s) after conception

TOXIC EFFECTS :: Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus)

TYPE OF TEST :: Dominant lethal test

MUTATION DATA

TYPE OF TEST :: Mutation in mammalian somatic cells

TEST SYSTEM :: Rodent - hamster Ovary

DOSE/DURATION :: 80 mg/L

REFERENCE :: EPASR* United States Environmental Protection Agency, Office of Pesticides and Toxic Substances. (U.S. Environmental Protection Agency, 401 M St., SW, Washington, DC 20460) History unknown. Volume(issue)/page/year: 8EHQ-0386-0595 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 84754 No. of Facilities: 221 (estimated) No. of Industries: 3 No. of Occupations: 3 No. of Employees: 3030 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 84754 No. of Facilities: 350 (estimated) No. of Industries: 9 No. of Occupations: 23 No. of Employees: 6171 (estimated) No. of Female Employees: 1577 (estimated)

Safety Information

[ Symbol ]:

GHS02, GHS06

[ Signal Word ]:
Danger

[ Hazard Statements ]:
H226-H302-H311-H331

[ Precautionary Statements ]:
P261-P280-P311

[ 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 ]:
R10;R22

[ Safety Phrases ]:
S21-S23-S24/25

[ RIDADR ]:
UN 2310 3/PG 3

[ WGK Germany ]:
1

[ RTECS ]:
SA1925000

[ Packaging Group ]:
III

[ Hazard Class ]:
3

[ HS Code ]:
2914190090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

DownStream

Customs

[ HS Code ]: 2914190090

[ Summary ]:
2914190090 other acyclic ketones without other oxygen function。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:5.5%。General tariff:30.0%

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Related Compounds

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