589-81-1

Name 3-METHYLHEPTANE
CAS 589-81-1
EINECS(EC#) 209-660-6
Molecular Formula C8H18
MDL Number MFCD00027244
Molecular Weight 114.23
MOL File 589-81-1.mol
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Chemical Properties

Appearance Colorless liquid.
Melting point  -121--120°C
Boiling point  118 °C(lit.)
density  0.705 g/mL at 25 °C(lit.)
vapor pressure  0.73 psi ( 37.7 °C)
refractive index  n20/D 1.398(lit.)
Fp  45 °F
form  clear liquid
color  Colorless to Almost colorless
Odor Threshold 0.027ppm
Water Solubility  792 μg/kg at 25 °C (shake flask-GLC, Price, 1976)
Specific Heat Capacity Cp(liquid):250.2J/(g·K),at 25℃
Thermal Conductivity 0.1149 W/(m·K) at 25 ℃
BRN  1730777
Henry's Law Constant 3.70 atm?m3/molat 25 °C (approximate - calculated from water solubility and vapor pressure)
Exposure limits ACGIH: TWA 300 ppm
InChI 1S/C8H18/c1-4-6-7-8(3)5-2/h8H,4-7H2,1-3H3
InChIKey LAIUFBWHERIJIH-UHFFFAOYSA-N
SMILES CCCCC(C)CC
LogP 4.627 (est)
Uses
Calibration, organic synthesis.
CAS DataBase Reference 589-81-1(CAS DataBase Reference)
EPA Substance Registry System 3-Methylheptane (589-81-1)
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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,Xi
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 .
RIDADR  UN 1262 3/PG 2
WGK Germany  3
Hazard Note  Irritant/Highly Flammable
TSCA  Yes
HazardClass  3
PackingGroup  II
HS Code  2901100000
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

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