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Heptane Structure

Heptane

  • Product NameHeptane
  • CAS142-82-5
  • CBNumberCB0426554
  • MFC7H16
    Lewis structure
  • MW100.2
  • EINECS205-563-8
  • MDL NumberMFCD00009544
  • MOL File142-82-5.mol
  • MSDS FileSDS

Chemical Properties

Melting point −91 °C(lit.)
Boiling point 98 °C(lit.)
Density  0.684 g/mL at 20 °C
vapor density  3.5 (vs air)
vapor pressure  40 mm Hg ( 20 °C)
refractive index  n20/D 1.397
Flash point 30 °F
storage temp.  Store at +5°C to +30°C.
solubility  acetone: miscible(lit.)
form  Liquid
pka >14 (Schwarzenbach et al., 1993)
Specific Gravity 0.684 (20/4℃)
color  ≤10(APHA)
Odor Gasoline.
Relative polarity 0.012
explosive limit 1-7%(V)
Odor Threshold 0.67ppm
Evaporation Rate 2.8
Water Solubility  practically insoluble
λmax λ: 200 nm Amax: ≤1.0
λ: 225 nm Amax: ≤0.10
λ: 250 nm Amax: ≤0.01
λ: 300-400 nm Amax: ≤0.005
Merck  14,4659
BRN  1730763
Henry's Law Constant 0.901, 1.195, and 1.905(atm?m3/mol) at 26.0, 35.8, and 45.0 °C, respectively (dynamic headspace, Hansen et al., 1995)
Exposure limits NIOSH REL: TWA 85 ppm (350 mg/m3), 15-min ceiling 440 ppm (1,800 mg/m3), IDLH 750 ppm; OSHA PEL: TWA 500 ppm (2,000 mg/m3); ACGIH TLV: TWA 400 ppm, STEL 500 ppm (adopted).
Dielectric constant 1.9(20℃)
Stability Stable. Incompatible with oxidizing agents, chlorine, phosphorus. Highly flammable. Readily forms explosive mixtures with air.
InChIKey IMNFDUFMRHMDMM-UHFFFAOYSA-N
LogP 4.660
Indirect Additives used in Food Contact Substances HEPTANE
FDA 21 CFR 175.105; 175.300; 177.1580; 178.2650
CAS DataBase Reference 142-82-5(CAS DataBase Reference)
EWG's Food Scores 1-2
FDA UNII 456148SDMJ
NIST Chemistry Reference Heptane(142-82-5)
EPA Substance Registry System Heptane (142-82-5)

Safety

Symbol(GHS)
Signal wordDanger
Hazard statements H225-H304-H315-H336-H410
Precautionary statements P210-P233-P273-P301+P310-P303+P361+P353-P331
Hazard Codes  F,Xn,N
Risk Statements  11-38-50/53-65-67
Safety Statements  9-16-29-33-60-61-62-23
RIDADR  UN 1206 3/PG 2
OEB A
OEL TWA: 85 ppm (350 mg/m3), Ceiling: 440 ppm (1800 mg/m3) [15-minute]
WGK Germany  3
RTECS  MI7700000
3-10
Autoignition Temperature 433 °F
TSCA  Yes
HazardClass  3
PackingGroup  II
HS Code  29011000
Hazardous Substances Data 142-82-5(Hazardous Substances Data)
Toxicity LC (2 hr in air) in mice: 75 mg/l (Lazarew)
IDLA 750 ppm
NFPA 704:
3
1

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