3-Methyl-2-butanone Structure

3-Methyl-2-butanone

Chemical Properties

Melting point -92 °C (lit.)
Boiling point 94-95 °C (lit.)
Density  0.805 g/mL at 25 °C (lit.)
vapor pressure  53.33 hPa (19.9 °C)
refractive index  n20/D 1.388(lit.)
FLAVIS Number 07.178 | 3-Methylbutan-2-one
Flash point 6 °C
storage temp.  Store below +30°C.
solubility  water: soluble8.21g/L at 20°C
form  Liquid
color  Clear colorless
Odor at 0.10%indipropylene glycol. camphor
explosive limit 1.5-9%(V)
Odor Threshold 0.5ppm
Water Solubility  6 g/L (20 ºC)
Specific Heat Capacity Cp(liquid): 2.09 J/(g·K), at 25℃
Merck  14,6090
BRN  1071238
Henry's Law Constant 1.1×10-1 mol/(m3Pa) at 25℃, Brockbank (2013)
Dielectric constant 16.57
Exposure limits TLV-TWA 700 mg/m3 (200 ppm); STEL 875 mg/m3 (250 ppm) (ACGIH).
Cosmetics Ingredients Functions PERFUMING
InChI 1S/C5H10O/c1-4(2)5(3)6/h4H,1-3H3
InChIKey SYBYTAAJFKOIEJ-UHFFFAOYSA-N
SMILES CC(C)C(C)=O
LogP 2.29 at 20℃
CAS DataBase Reference 563-80-4(CAS DataBase Reference)
EWG's Food Scores 1
FDA UNII V8DP6THY5O
NIST Chemistry Reference 2-Butanone, 3-methyl-(563-80-4)
EPA Substance Registry System Methyl isopropyl ketone (563-80-4)
UNSPSC Code 12352115
NACRES NA.22

Safety

Symbol(GHS) Flame (GHS02)Exclamation Mark (GHS07)Health Hazard (GHS08)
Signal wordDanger
Hazard statements H303+H333-H315+H320-H335-H336-H305-H225
Precautionary statements P501-P240-P261-P210-P233-P243-P241-P242-P271-P264-P280-P370+P378-P312-P331-P337+P313-P305+P351+P338-P362+P364-P303+P361+P353-P332+P313-P301+P310-P304+P340+P312-P403+P233-P403+P235-P405
Hazard Codes  F
Risk Statements  11-67
Safety Statements  9-16-33
OEB A
OEL TWA: 200 ppm (705 mg/m3)
RIDADR  UN 2397
WGK Germany  1
RTECS  EL9100000
Autoignition Temperature 475 °C
Hazard Note  Highly Flammable
TSCA  TSCA listed
HazardClass  3
PackingGroup  II
HS Code  29141990
Storage Class 3 - Flammable liquids
Hazard Classifications Flam. Liq. 2
Hazardous Substances Data 563-80-4(Hazardous Substances Data)
Toxicity LD50 orally in male mice: 29.86 mmol/kg (Tanii)
NFPA 704:
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