142-82-5

Name Heptane
CAS 142-82-5
EINECS(EC#) 205-563-8
Molecular Formula C7H16
MDL Number MFCD00009544
Molecular Weight 100.2
MOL File 142-82-5.mol

Chemical Properties

Appearance n-Heptane is a clear liquid which is highly flammable and volatile with a mild, gasoline-like odor. The odor threshold is 40 547 ppm; also reported @ 230 ppm.
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
Fp  30 °F
storage temp.  2-8°C
solubility  acetone: miscible(lit.)
form  Liquid
pka >14 (Schwarzenbach et al., 1993)
color  ≤10(APHA)
Specific Gravity 0.684 (20/4℃)
Odor Gasoline.
Relative polarity 0.012
Stability: Stable. Incompatible with oxidizing agents, chlorine, phosphorus. Highly flammable. Readily forms explosive mixtures with air.
explosive limit 1-7%(V)
Odor Threshold 0.67ppm
Water Solubility  practically insoluble
Specific Heat Capacity Cp(liquid):224.7J/(g·K),at 25℃
Thermal Conductivity 0.1222 W/(m·K) at 25 ℃
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)
Dielectric constant 1.9(20℃)
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).
Major Application microbiology
Cosmetics Ingredients Functions SOLVENT
InChI 1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3
InChIKey IMNFDUFMRHMDMM-UHFFFAOYSA-N
SMILES CCCCCCC
LogP 4.660
Surface tension 21.12mN/m at 293.15K
Uses
heptane is a solvent and viscosity-decreasing agent.
CAS DataBase Reference 142-82-5(CAS DataBase Reference)
NIST Chemistry Reference Heptane(142-82-5)
EPA Substance Registry System Heptane (142-82-5)
Absorption 0.10 at 225nm
0.40 at 210nm
1.0 at 197nm

Safety Data

Symbol(GHS)  Flame (GHS02)Exclamation Mark (GHS07)Health Hazard (GHS08)Environment (GHS09)
GHS02,GHS07,GHS08,GHS09
Signal word  Danger
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 
R11:Highly Flammable.
R38:Irritating to the skin.
R50/53:Very Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment .
R65:Harmful: May cause lung damage if swallowed.
R67:Vapors may cause drowsiness and dizziness.
Safety Statements 
S9:Keep container in a well-ventilated place .
S16:Keep away from sources of ignition-No smoking .
S29:Do not empty into drains .
S33:Take precautionary measures against static discharges .
S60:This material and/or its container must be disposed of as hazardous waste .
S61:Avoid release to the environment. Refer to special instructions safety data sheet .
S62:If swallowed, do not induce vomiting: seek medical advice immediately and show this container or label .
S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) .
OEB A
OEL TWA: 85 ppm (350 mg/m3), Ceiling: 440 ppm (1800 mg/m3) [15-minute]
RIDADR  UN 1206 3/PG 2
WGK Germany  3
RTECS  MI7700000
F  3-10
Autoignition Temperature 433 °F
TSCA  Yes
REACH Registrations Active
HazardClass  3
PackingGroup  II
HS Code  29011000
Storage Class 3 - Flammable liquids
Hazard Classifications Aquatic Acute 1
Aquatic Chronic 1
Asp. Tox. 1
Flam. Liq. 2
Skin Irrit. 2
STOT SE 3
Hazardous Substances Data 142-82-5(Hazardous Substances Data)
Toxicity
LC (2 hr in air) in mice: 75 mg/l (Lazarew)
IDLA 750 ppm
IDLH 750 ppm

Hazard Information

Material Safety Data Sheet(MSDS)

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