2,4-Pentandione

Modify Date: 2024-01-01 20:05:55

2,4-Pentandione Structure
2,4-Pentandione structure
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 Chinese USA Flash Point 43.1±16.8 °C
Symbol GHS02 GHS06
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
Water Solubility 16 g/100 mL (20 ºC)

 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
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

 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
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