CAS 123-54-6|2,4-Pentandione
| Common Name | 2,4-Pentandione | ||
|---|---|---|---|
| CAS Number | 123-54-6 | Molecular Weight | 100.116 |
| Density | 1.0±0.1 g/cm3 | Boiling Point | 138.4±13.0 °C at 760 mmHg |
| Molecular Formula | C5H8O2 | Melting Point | -23 °C |
| MSDS | ChineseUSA | Flash Point | 43.1±16.8 °C |
| Symbol | GHS02, GHS06 | Signal Word | Danger |
Names
| Name | acetylacetone |
|---|---|
| Synonym | More Synonyms |
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 |
| InChIKey | YRKCREAYFQTBPV-UHFFFAOYSA-N |
| SMILES | CC(=O)CC(C)=O |
| Water Solubility | 16 g/100 mL (20 ºC) |
Toxicological Information
CHEMICAL IDENTIFICATION |
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)
- 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 |
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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Synonyms
| 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 |
