Acetonylacetone

Modify Date: 2024-01-01 21:58:33

Acetonylacetone Structure
Acetonylacetone structure
 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 Chinese USA Flash Point 78.9±0.0 °C
Symbol GHS07 GHS08
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
Stability Stable. Incompatible with strong bases, strong reducing agents, strong oxidizing agents. Flammable.
Water Solubility miscible

 Toxicological Information

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

 Safety Information

Symbol GHS07 GHS08
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

 Synthetic Route

 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%

 Articles35

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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
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