Acetonylacetone

[ 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

[ Stability ]:
Stable. Incompatible with strong bases, strong reducing agents, strong oxidizing agents. Flammable.

[ Water Solubility ]:
miscible

Click to get detail MSDS

CHEMICAL IDENTIFICATION

RTECS NUMBER :: MO3150000

CHEMICAL NAME :: 2,5-Hexanedione

CAS REGISTRY NUMBER :: 110-13-4

BEILSTEIN REFERENCE NO. :: 0506525

LAST UPDATED :: 199710

DATA ITEMS CITED :: 39

MOLECULAR FORMULA :: C6-H10-O2

MOLECULAR WEIGHT :: 114.16

WISWESSER LINE NOTATION :: 1V2V1

HEALTH HAZARD DATA

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

[ 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

Click to get detail synthetic route

Precursor

DownStream

[ 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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A previously unidentified oxidoreductase from Escherichia coli catalyzes the regioselective reduction of eukaryotic steroid hormone 11-deoxycorticosterone (11-DOC) to the valuable bioactive product 4-...

2,5-hexanedione altered the degradation of low-molecular-weight neurofilament in rat nerve tissues.

Food Chem. Toxicol. 50(12) , 4277-84, (2012)

Occupational exposure to n-hexane produces a central-peripheral distal axonopathy, which is characterized by giant axonal swellings filled with neurofilaments (NFs). To investigate the change of NFs d...

Alternative biomarkers of n-hexane exposure: characterization of aminoderived pyrroles and thiol-pyrrole conjugates in urine of rats exposed to 2,5-hexanedione.

Toxicol. Lett. 224(1) , 54-63, (2014)

The identification of pyrrole derivatives in urine of rats exposed to 2,5-hexanedione (2,5-HD), was performed to select an adequate peripheral biomarker predictive of 2,5-HD neurotoxicity. Studies on ...

Names

Chemical & Physical Properties

MSDS

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Toxicological Information

CHEMICAL IDENTIFICATION

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

MUTATION DATA

Safety Information

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

DownStream

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