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5-Methyl-2-hexanone Structure

5-Methyl-2-hexanone

  • Product Name5-Methyl-2-hexanone
  • CAS110-12-3
  • CBNumberCB7397123
  • MFC7H14O
  • MW114.19
  • EINECS203-737-8
  • MDL NumberMFCD00008950
  • MOL File110-12-3.mol

Chemical Properties

Melting point: −41 °C (−42 °F; 232 K)
Boiling point: 145 °C (293 °F; 418 K)
Density  0.88
vapor density  3.94 (vs air)
vapor pressure  4.5 mm Hg ( 20 °C)
refractive index  1.4062
Flash point: 36 °C
storage temp.  Store below +30°C.
solubility  water: soluble5.4g/L at 25°C
form  liquid
color  colorless
Odor pleasant odor
Odor Threshold 0.0021ppm
explosive limit 1.35-8.2%, 93°F
Water Solubility  5.4 g/L (20 ºC)
BRN  506163
Henry's Law Constant 6.4×10-2 mol/(m3Pa) at 25℃, Brockbank (2013)
Exposure limits ACGIH:TLV-TWA 20 ppm (93 mg/m3); TLV-STEL 50 ppm (233 mg/m3)
OSHA:PEL-TWA 100 ppm (475 mg/m3)
NIOSH:REL-TWA 50 ppm
InChI 1S/C7H14O/c1-6(2)4-5-7(3)8/h6H,4-5H2,1-3H3
InChIKey FFWSICBKRCICMR-UHFFFAOYSA-N
SMILES CC(C)CCC(C)=O
LogP 1.88 at 25℃
CAS DataBase Reference 110-12-3(CAS DataBase Reference)
NIST Chemistry Reference 2-Hexanone, 5-methyl-(110-12-3)
EPA Substance Registry System Methyl isoamyl ketone (110-12-3)

Safety

Symbol(GHS)  Flame (GHS02)Exclamation Mark (GHS07)Health Hazard (GHS08)
GHS02,GHS07,GHS08
Signal word  Warning
Hazard statements  H312-H303-H320-H373-H336-H305-H226
Precautionary statements  P501-P240-P260-P210-P233-P243-P241-P242-P271-P264-P280-P370+P378-P312-P331-P337+P313-P305+P351+P338-P362+P364-P303+P361+P353-P301+P310-P304+P340+P312-P403+P233-P403+P235-P405
Hazard Codes  Xn
Risk Statements  10-20
Safety Statements  23-24/25
RIDADR  UN 2302
OEB A
OEL TWA: 50 ppm (240 mg/m3)
WGK Germany  1
RTECS  MP3850000
Autoignition Temperature 797 °F
TSCA  TSCA listed
HazardClass  3
PackingGroup  III
HS Code  2914190090
Storage Class 3 - Flammable liquids
Hazard Classifications Acute Tox. 4 Inhalation
Flam. Liq. 3
Hazardous Substances Data 110-12-3(Hazardous Substances Data)
Toxicity LD50 orally in Rabbit: 3200 mg/kg LD50 dermal Rabbit 8100 mg/kg
REACH Registrations Active
Limited Quantities 5.0 L (1.3 gallons) (liquid)
Excepted Quantities Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
NFPA 704:
3
1 0

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