110-43-0

Name 2-Heptanone
CAS 110-43-0
EINECS(EC#) 203-388-1
Molecular Formula C7H14O
MDL Number MFCD00009483
Molecular Weight 114.19
MOL File 110-43-0.mol

Chemical Properties

Appearance Methyl amyl ketone is a clear colorless liquid with a mild, banana-like odor.
Melting point  -35 °C (lit.)
Boiling point  149-150 °C (lit.)
density  0.82
vapor density  3.94 (vs air)
vapor pressure  2.14 mm Hg ( 20 °C)
FEMA  2544
refractive index  n20/D 1.408(lit.)
Fp  106 °F
storage temp.  Flammables area
solubility  water: soluble4.21 g/L at 20°C
form  Liquid
color  Clear colorless
Odor at 10.00 % in dipropylene glycol. fruity spicy sweet herbal coconut woody
Stability: Stable. Flammable. Incompatible with strong oxidizing agents, strong reducing agents, strong bases.
biological source synthetic
explosive limit 1.11-7.9%(V)
Odor Threshold 0.0068ppm
Odor Type cheesy
Water Solubility  4.3 g/L (20 ºC)
Specific Heat Capacity Cp(liquid):232.6J/(g·K),at 25℃
Detection Methods GC,NMR
JECFA Number 283
Merck  14,4663
BRN  1699063
Henry's Law Constant 3.59 at 37 °C (static headspace-GC, Bylaite et al., 2004)
Dielectric constant 12.9(22℃)
Exposure limits TLV-TWA 235 mg/m3 (50 ppm) (ACGIH), 465 mg/m3 (100 ppm) (NIOSH). .
Major Application flavors and fragrances
Cosmetics Ingredients Functions PERFUMING
InChI 1S/C7H14O/c1-3-4-5-6-7(2)8/h3-6H2,1-2H3
InChIKey CATSNJVOTSVZJV-UHFFFAOYSA-N
SMILES CCCCCC(C)=O
LogP 2.26 at 30℃
Uses
Solvent for nitrocellulose lacquers, synthetic flavoring, perfumery.
CAS DataBase Reference 110-43-0(CAS DataBase Reference)
NIST Chemistry Reference 2-Heptanone(110-43-0)
EPA Substance Registry System 110-43-0(EPA Substance)

Safety Data

Symbol(GHS)  Flame (GHS02)Exclamation Mark (GHS07)
GHS02,GHS07
Signal word  Warning
Hazard statements  H226-H302+H332
Precautionary statements  P210-P301+P312+P330-P304+P340+P312
Hazard Codes  Xn
Risk Statements 
R22:Harmful if swallowed.
R38:Irritating to the skin.
R40:Limited evidence of a carcinogenic effect.
R48/20/22:Harmful: danger of serious damage to health by prolonged exposure through inhalation and if swallowed .
R20/22:Harmful by inhalation and if swallowed .
R10:Flammable.
Safety Statements 
S36:Wear suitable protective clothing .
S24/25:Avoid contact with skin and eyes .
OEB A
OEL TWA: 100 ppm (465 mg/m3)
RIDADR  UN 2810 6.1/PG 3
WGK Germany  2
RTECS  MJ5250000
Autoignition Temperature 739 °F
TSCA  Yes
REACH Registrations Active
HazardClass  3
PackingGroup  III
HS Code  29141990
Storage Class 3 - Flammable liquids
Hazard Classifications Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
Flam. Liq. 3
STOT SE 3
Safety Profile
Moderately toxic by ingestion. Mildly toxic by inhalation and skin contact. A skin irritant. A flammable liquid when exposed to heat or flame; can react with oxidizing materials. To fight fire, use foam, CO2, dry chemical. When heated to decomposition it emits acrid smoke and fumes. See also KETONES.
Hazardous Substances Data 110-43-0(Hazardous Substances Data)
Toxicity
LD50 orally in Rabbit: 1670 mg/kg LD50 dermal Rabbit 10332 mg/kg
IDLA 800 ppm
IDLH 800 ppm

Hazard Information

Material Safety Data Sheet(MSDS)

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