124-12-9

Name OCTANENITRILE
CAS 124-12-9
EINECS(EC#) 204-682-2
Molecular Formula C8H15N
MDL Number MFCD00001983
Molecular Weight 125.21
MOL File 124-12-9.mol
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Chemical Properties

Appearance clear colorless to light yellow liquid
Melting point  −45 °C(lit.)
Boiling point  198-200 °C(lit.)
density  0.814 g/mL at 25 °C(lit.)
refractive index  n20/D 1.42(lit.)
Fp  165 °F
form  clear liquid
color  Colorless to Light yellow to Light orange
Odor at 10.00 % in dipropylene glycol. fatty aldehydic green
Odor Type aldehydic
BRN  1744063
Henry's Law Constant 5.7×10-2 mol/(m3Pa) at 25℃, Plyasunov et al. (2006)
Dielectric constant 13.9（25℃）
InChI InChI=1S/C8H15N/c1-2-3-4-5-6-7-8-9/h2-7H2,1H3
InChIKey YSIMAPNUZAVQER-UHFFFAOYSA-N
SMILES C(#N)CCCCCCC
LogP 2.750
CAS DataBase Reference 124-12-9(CAS DataBase Reference)
EPA Substance Registry System Octanenitrile (124-12-9)
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Safety Data

Hazard Codes  Xn
Risk Statements 
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
Safety Statements 
S36/37:Wear suitable protective clothing and gloves .
RIDADR  3276
WGK Germany  2
RTECS  RG9700300
TSCA  Yes
HS Code  2926.90.5050
REACH Registrations Active
HazardClass  6.1(b)
PackingGroup  III
Storage Class 10 - Combustible liquids
Hazard Classifications Acute Tox. 4 Oral
Skin Irrit. 2
Toxicity
LD50 orl-mus: 1764 mg/kg ARTODN 55,47,84

Hazard Information

Material Safety Data Sheet(MSDS)

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