CAS 110-13-4|Acetonylacetone
Introduction：Basic information about CAS 110-13-4|Acetonylacetone, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Acetonylacetone | ||
|---|---|---|---|
| CAS Number | 110-13-4 | Molecular Weight | 114.142 |
| Density | 0.9±0.1 g/cm3 | Boiling Point | 188.8±13.0 °C at 760 mmHg |
| Molecular Formula | C6H10O2 | Melting Point | −6-−5 °C(lit.) |
| MSDS | ChineseUSA | Flash Point | 78.9±0.0 °C |
| Symbol | GHS07, GHS08 | Signal Word | Warning |
Names
| Name | 2,5-hexanedione |
|---|---|
| Synonym | More Synonyms |
Chemical & Physical Properties
| Density | 0.9±0.1 g/cm3 |
|---|---|
| Boiling Point | 188.8±13.0 °C at 760 mmHg |
| Melting Point | −6-−5 °C(lit.) |
| Molecular Formula | C6H10O2 |
| Molecular Weight | 114.142 |
| Flash Point | 78.9±0.0 °C |
| Exact Mass | 114.068077 |
| PSA | 34.14000 |
| LogP | -0.27 |
| Vapour Pressure | 0.6±0.4 mmHg at 25°C |
| Index of Refraction | 1.406 |
| InChIKey | OJVAMHKKJGICOG-UHFFFAOYSA-N |
| SMILES | CC(=O)CCC(C)=O |
| Stability | Stable. Incompatible with strong bases, strong reducing agents, strong oxidizing agents. Flammable. |
| Water Solubility | miscible |
Toxicological Information
CHEMICAL IDENTIFICATION |
ACUTE TOXICITY DATA - TYPE OF TEST :
- Standard Draize test
- ROUTE OF EXPOSURE :
- Administration into the eye
- 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 :
- 2076 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- LCLo - Lowest published lethal concentration
- ROUTE OF EXPOSURE :
- Inhalation
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 2000 ppm/4H
- 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 - rat
- DOSE/DURATION :
- 800 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 :
- 2386 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 :
- 1600 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 - guinea pig
- DOSE/DURATION :
- 6600 uL/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 :
- 38 gm/kg/15W-C
- TOXIC EFFECTS :
- Peripheral Nerve and Sensation - structural change in nerve or sheath Behavioral - muscle weakness
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 28 gm/kg/4W-C
- TOXIC EFFECTS :
- Behavioral - muscle weakness Biochemical - Metabolism (Intermediary) - other proteins Related to Chronic Data - changes in testicular weight
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 23520 mg/kg/6W-C
- TOXIC EFFECTS :
- Peripheral Nerve and Sensation - structural change in nerve or sheath Biochemical - Metabolism (Intermediary) - lipids including transport
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 15982 mg/kg/46D-C
- TOXIC EFFECTS :
- Peripheral Nerve and Sensation - recording from peripheral motor nerve
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 16800 mg/kg/8W-C
- TOXIC EFFECTS :
- Spinal Cord - other degenerative changes Autonomic Nervous System - other (direct) parasympathomimetic Biochemical - Metabolism (Intermediary) - other proteins
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 21 gm/kg/21W-C
- TOXIC EFFECTS :
- Peripheral Nerve and Sensation - recording from afferent nerve Peripheral Nerve and Sensation - recording from peripheral motor nerve Nutritional and Gross Metabolic - weight loss or decreased weight gain
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 9800 mg/kg/35D-I
- TOXIC EFFECTS :
- Peripheral Nerve and Sensation - recording from afferent nerve Peripheral Nerve and Sensation - recording from peripheral motor nerve Nutritional and Gross Metabolic - weight loss or decreased weight gain
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 24 gm/kg/12W-I
- TOXIC EFFECTS :
- Autonomic Nervous System - other (direct) parasympathomimetic Behavioral - muscle weakness
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 18551 mg/kg/13W-I
- TOXIC EFFECTS :
- Spinal Cord - other degenerative changes Peripheral Nerve and Sensation - sensory change involving peripheral nerve Peripheral Nerve and Sensation - recording from peripheral motor nerve
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 19200 mg/kg/32D-I
- TOXIC EFFECTS :
- Peripheral Nerve and Sensation - recording from peripheral motor nerve Nutritional and Gross Metabolic - weight loss or decreased weight gain
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 16 mL/kg/20D-I
- TOXIC EFFECTS :
- Peripheral Nerve and Sensation - structural change in nerve or sheath
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 16 gm/kg/8W-I
- TOXIC EFFECTS :
- Peripheral Nerve and Sensation - spastic paralysis with or without sensory change Peripheral Nerve and Sensation - structural change in nerve or sheath Nutritional and Gross Metabolic - weight loss or decreased weight gain
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 6300 mg/kg/28D-I
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity) Behavioral - ataxia Nutritional and Gross Metabolic - weight loss or decreased weight gain
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 5250 mg/kg/3W-I
- TOXIC EFFECTS :
- Brain and Coverings - recordings from specific areas of CNS Nutritional and Gross Metabolic - weight loss or decreased weight gain
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Primate - monkey
- DOSE/DURATION :
- 6210 mg/kg/17W-I
- TOXIC EFFECTS :
- Spinal Cord - other degenerative changes Peripheral Nerve and Sensation - structural change in nerve or sheath Behavioral - muscle weakness
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Mammal - cat
- DOSE/DURATION :
- 1440 mg/kg/6W-I
- TOXIC EFFECTS :
- Behavioral - ataxia Behavioral - changes in psychophysiological tests Peripheral Nerve and Sensation - recording from peripheral motor nerve
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - guinea pig
- DOSE/DURATION :
- 94517 mg/kg/24W-C
- TOXIC EFFECTS :
- Sense Organs and Special Senses (Eye) - miosis (pupillary constriction) Nutritional and Gross Metabolic - weight loss or decreased weight gain Related to Chronic Data - death
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Bird - chicken
- DOSE/DURATION :
- 1575 mg/kg/3W-C
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity) Behavioral - ataxia Related to Chronic Data - death
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Bird - chicken
- DOSE/DURATION :
- 9 gm/kg/90D-I
- TOXIC EFFECTS :
- Spinal Cord - other degenerative changes Behavioral - ataxia
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Bird - chicken
- DOSE/DURATION :
- 9 gm/kg/90D-I
- TOXIC EFFECTS :
- Spinal Cord - demyelination Spinal Cord - other degenerative changes Peripheral Nerve and Sensation - spastic paralysis with or without sensory change
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- DOSE :
- 4200 mg/kg
- SEX/DURATION :
- male 42 day(s) pre-mating
- TOXIC EFFECTS :
- Reproductive - Paternal Effects - testes, epididymis, sperm duct Reproductive - Paternal Effects - other effects on male
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- DOSE :
- 28 gm/kg
- SEX/DURATION :
- male 28 day(s) pre-mating
- TOXIC EFFECTS :
- Reproductive - Paternal Effects - spermatogenesis (incl. genetic material, sperm morphology, motility, and count)
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- DOSE :
- 28 gm/kg
- SEX/DURATION :
- male 28 day(s) pre-mating
- TOXIC EFFECTS :
- Reproductive - Paternal Effects - testes, epididymis, sperm duct
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- DOSE :
- 14934 mg/kg
- SEX/DURATION :
- male 3 week(s) pre-mating
- TOXIC EFFECTS :
- Reproductive - Paternal Effects - testes, epididymis, sperm duct
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Subcutaneous
- DOSE :
- 3400 mg/kg
- SEX/DURATION :
- female 12-16 day(s) after conception
- TOXIC EFFECTS :
- Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus)
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- DOSE :
- 93 gm/kg
- SEX/DURATION :
- female 6 week(s) pre-mating
- TOXIC EFFECTS :
- Reproductive - Maternal Effects - oogenesis
MUTATION DATA - TYPE OF TEST :
- Sex chromosome loss and nondisjunction
- TEST SYSTEM :
- Yeast - Saccharomyces cerevisiae
- DOSE/DURATION :
- 105 mmol/L
- REFERENCE :
- MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 341,83,1994 *** REVIEWS *** TOXICOLOGY REVIEW ARPTDI Annual Review of Pharmacology and Toxicology. (Annual Reviews, Inc., POB 10139, Palo Alto, CA 94303) V.16- 1976- Volume(issue)/page/year: 22,145,1982
- TYPE OF TEST :
- Sex chromosome loss and nondisjunction
- TEST SYSTEM :
- Yeast - Saccharomyces cerevisiae
- DOSE/DURATION :
- 105 mmol/L
- REFERENCE :
- MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 341,83,1994 *** REVIEWS *** TOXICOLOGY REVIEW ARPTDI Annual Review of Pharmacology and Toxicology. (Annual Reviews, Inc., POB 10139, Palo Alto, CA 94303) V.16- 1976- Volume(issue)/page/year: 22,145,1982
Safety Information
| Symbol | GHS07, GHS08 |
|---|---|
| Signal Word | Warning |
| Hazard Statements | H315-H319-H373 |
| Precautionary Statements | P305 + P351 + P338 |
| Personal Protective Equipment | Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter |
| Hazard Codes | Xi:Irritant; |
| Risk Phrases | R36/37/38 |
| Safety Phrases | S23-S26-S36/37-S37/39 |
| RIDADR | NONH for all modes of transport |
| WGK Germany | 2 |
| RTECS | MO3150000 |
| Packaging Group | I; II; III |
| HS Code | 2942000000 |
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 203-738-3 |
| α,β-Diacetylethane |
| 1,2-Diacetylethane |
| 2,5-HEXADIONE |
| MFCD00008792 |
| Hexane-2,5-dione |
| 4-01-00-03688 (Beilstein Handbook Reference) |
| 2,5-Hexanedione |
| Acetonylacetone |
| a,b-Diacetylethane |
