butane-2,3-dione

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Names

[ CAS No. ]:
431-03-8

[ Name ]:
butane-2,3-dione

[Synonym ]:
butanedione
MFCD00008756
2,3-Butanedione
Butan-2,3-dione
EINECS 207-069-8
2,3-butandione
2,3-Butadione
Butane-2,3-dione
Biacetyl
Dimethylglyoxal
2,3-Diketobutane
Diacetyl

Chemical & Physical Properties

[ Density]:
1.0±0.1 g/cm3

[ Boiling Point ]:
88.0±0.0 °C at 760 mmHg

[ Melting Point ]:
-4--2 °C

[ Molecular Formula ]:
C4H6O2

[ Molecular Weight ]:
86.089

[ Flash Point ]:
7.2±0.0 °C

[ Exact Mass ]:
86.036781

[ PSA ]:
34.14000

[ LogP ]:
-1.33

[ Vapour density ]:
3 (vs air)

[ Vapour Pressure ]:
62.3±0.1 mmHg at 25°C

[ Index of Refraction ]:
1.381

[ Stability ]:
Stable. Flammable. Incompatible with acids, strong bases, metals, reducing agents, oxidizing agents. Protect from moisture and water. Note low flashpoint.

[ Water Solubility ]:
200 g/L (20 ºC)

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
EK2625000
CHEMICAL NAME :
2,3-Butanedione
CAS REGISTRY NUMBER :
431-03-8
BEILSTEIN REFERENCE NO. :
0605398
LAST UPDATED :
199712
DATA ITEMS CITED :
12
MOLECULAR FORMULA :
C4-H6-O2
MOLECULAR WEIGHT :
86.10
WISWESSER LINE NOTATION :
1VV1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
1580 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Behavioral - convulsions or effect on seizure threshold
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
400 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold Behavioral - changes in motor activity (specific assay) Vascular - regional or general arteriolar or venous dilation
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
>5 gm/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 - guinea pig
DOSE/DURATION :
990 mg/kg
TOXIC EFFECTS :
Behavioral - ataxia Behavioral - coma Lungs, Thorax, or Respiration - dyspnea
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
48600 mg/kg/90D-I
TOXIC EFFECTS :
Liver - changes in liver weight Endocrine - changes in adrenal weight Blood - pigmented or nucleated red blood cells

MUTATION DATA

TEST SYSTEM :
Rodent - rat
DOSE/DURATION :
1500 mg/kg
REFERENCE :
JJCREP Japanese Journal of Cancer Research. (Elsevier Science Pub. BV, POB 211, 1000 AE Amsterdam, Netherlands) V.76- 1985- Volume(issue)/page/year: 76,809,1985 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 84595 No. of Facilities: 126 (estimated) No. of Industries: 3 No. of Occupations: 6 No. of Employees: 1503 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 84595 No. of Facilities: 185 (estimated) No. of Industries: 3 No. of Occupations: 13 No. of Employees: 3438 (estimated) No. of Female Employees: 1628 (estimated)

Safety Information

[ Symbol ]:

GHS02, GHS05, GHS06

[ Signal Word ]:
Danger

[ Hazard Statements ]:
H225-H302-H315-H318-H331-H335

[ Precautionary Statements ]:
P210-P261-P280-P305 + P351 + P338-P311

[ Personal Protective Equipment ]:
Eyeshields;Faceshields;full-face respirator (US);Gloves;Heavyweight Gloves;multi-purpose combination respirator cartridge (US);Safety Clothing;type ABEK (EN14387) respirator filter

[ Hazard Codes ]:
F:Flammable

[ Risk Phrases ]:
R11;R20/21/22;R36/38

[ Safety Phrases ]:
S9-S16-S26-S37/39-S36/37/39-S39

[ RIDADR ]:
UN 2346 3/PG 2

[ WGK Germany ]:
2

[ RTECS ]:
EK2625000

[ Packaging Group ]:
II

[ Hazard Class ]:
3

[ HS Code ]:
2914190090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • But-2-yne
  • Ethanol
  • Acetoin
  • Dimethylglyoxime
  • Pyrazine,2,3-dihydro-2,2,3,3,5,6-hexamethyl-, 1,4-dioxide
  • 3-Buten-1-ol
  • Ethanoic anhydride
  • 4-Hydroxy-2-butanone
  • 4-Hydroxy-4-methyl-2-pentanone

DownStream

  • 2,3-dimethylpyrazolo[1,5-b][1,2,4]triazine
  • Pyrido[3,4-b]pyrazine, 8-amino-2,3-dimethyl- (6CI)
  • 6,7-dimethoxy-2,3-dimethylquinoxaline
  • 2,3-Dimethoxy-1,3-butadiene
  • 1-(Quinolin-2-yl)ethanone
  • 1-(QUINOLIN-4-YL)ETHANONE
  • 1-(2-acetylquinolin-4-yl)ethanone
  • 4-Nitroacetanilide
  • 4-Nitroaniline
  • 3-(2-hydroxy-2-methylpropyl)iminobutan-2-one

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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Related Compounds

  • butane-2,3-dione
  • butane-2,3-dione-d6
  • butane-2,3-dione dioxime
  • 1-phenylbutane-2,3-dione
  • 1-Chlorobutane-2,3-dione
  • benzene,butane-2,3-dione
  • Pomalidomide-5'-C3-alkyne
  • 2-Methyl-2-(4-methylpyridin-3-yl)propanoic acid;hydrochloride
  • 1-(2-Bromophenyl)piperazine;dihydrochloride
  • 2-(2-Methylcyclopropoxy)ethan-1-amine
  • 8-(Cyclopropyloxy)-6-quinolinecarboxylic acid
  • 5-Chloro-2-nitro-3-pyridinecarboxaldehyde
  • ethoxy-oxo-[(E)-3-phenylprop-2-enoxy]silane
  • Metallothionein
  • Silicic acid, ethyl 2,6-nonadien-1-yl ester
  • 3-(4-bromo-1-methyl-1H-imidazol-2-yl)-3-Oxetanol
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