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111-14-8

Name Heptanoic acid
CAS 111-14-8
EINECS(EC#) 203-838-7
Molecular Formula C7H14O2
MDL Number MFCD00004426
Molecular Weight 130.18
MOL File 111-14-8.mol

Chemical Properties

Appearance colourless liquid with a pungent and rancid odour
Melting point  -10.5 °C (lit.)
Boiling point  223 °C (lit.)
density  0.918 g/mL at 25 °C(lit.)
vapor density  4.5 (vs air)
vapor pressure  <0.1 mm Hg ( 20 °C)
FEMA  3348
refractive index  n20/D 1.4221(lit.)
Fp  >230 °F
storage temp.  Store below +30°C.
solubility  water: soluble0.2419 g/100ml at 15°C
form  Powder
pka 4.89(at 25℃)
color  White to off-white
Odor at 1.00 % in propylene glycol. rancid sour cheesy sweat
Stability: Stable. Incompatible with strong oxidizing agents, bases, reducing agents. Combustible. Protect from light.
explosive limit 10.1%
Odor Type cheesy
Water Solubility  0.24 g/100 mL (15 ºC)
Usage Intermediates of Liquid Crystals
Detection Methods GC,NMR
JECFA Number 96
Merck  14,4660
BRN  1744723
Dielectric constant 2.5(22℃)
InChIKey MNWFXJYAOYHMED-UHFFFAOYSA-N
LogP 2.54 at 20℃
Uses
There are two major uses for heptanoic acid. One is in vinyl plasticizers that are used primarily in the automotive market.This market is expected to grow 3 to 4% per year with GNP.The second is in synthetic lubricants, where heptanoic acid is used in polyol esters.The market for polyol esters is primarily for use in commercial and military jet turbine lubricants.There is a small market for these esters in the automotive lubricant area, but there has been limited acceptance of these products by automakers and the public.The growth of the polyol ester market is expected to track GNP, unless automakers change to support synthetics or unless there is an elevation of military activity.
The use of heptanoic acid in high-water metalworking fluids has grown in excess of 20% over the last several years.The amount of acid used in these products is small; therefore, a dramatic change from the traditional oil-based fluids would be required before there would be significant market impact.
CAS DataBase Reference 111-14-8(CAS DataBase Reference)
NIST Chemistry Reference Heptanoic acid(111-14-8)
EPA Substance Registry System 111-14-8(EPA Substance)

Safety Data

Hazard Codes  C
Risk Statements 
R34:Causes burns.
Safety Statements 
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S28:After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer) .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
RIDADR  UN 3265 8/PG 3
WGK Germany  1
RTECS  MJ1575000
Autoignition Temperature 380 °C
TSCA  Yes
HazardClass  8
PackingGroup  III
HS Code  29159000
Hazardous Substances Data 111-14-8(Hazardous Substances Data)
Toxicity
LD50 i.v. in mice: 1200±56 mg/kg (Or, Wretlind)

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