626-89-1

Name 4-Methyl-1-pentanol
CAS 626-89-1
EINECS(EC#) 210-969-3
Molecular Formula C6H14O
MDL Number MFCD00002962
Molecular Weight 102.17
MOL File 626-89-1.mol
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Chemical Properties

Appearance clear colorless liquid
Melting point  -48.42°C (estimate)
Boiling point  160-165 °C (lit.)
density  0.821 g/mL at 25 °C(lit.)
refractive index  n20/D 1.414(lit.)
Fp  125 °F
storage temp.  Flammables area
solubility  DMF: 50 mg/mL; DMSO: 50 mg/mL; Ethanol: 50 mg/mL; PBS (pH 7.2): 1.4 mg/mL
form  clear liquid
pka 15.21±0.10(Predicted)
color  Colorless to Almost colorless
Odor nutty
Water Solubility  10.42g/L(20 ºC)
BRN  1731303
InChI 1S/C6H14O/c1-6(2)4-3-5-7/h6-7H,3-5H2,1-2H3
InChIKey PCWGTDULNUVNBN-UHFFFAOYSA-N
SMILES CC(C)CCCO
LogP 1.702 (est)
CAS DataBase Reference 626-89-1(CAS DataBase Reference)
NIST Chemistry Reference 1-Pentanol, 4-methyl-(626-89-1)
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Safety Data

Symbol(GHS)  Flame (GHS02)
GHS02
Signal word  Warning
Hazard statements  H302-H226
Precautionary statements  P501-P270-P240-P210-P233-P243-P241-P242-P264-P280-P370+P378-P303+P361+P353-P301+P312+P330-P403+P235
Hazard Codes  Xi
Risk Statements 
R10:Flammable.
R37:Irritating to the respiratory system.
Safety Statements 
S24/25:Avoid contact with skin and eyes .
S16:Keep away from sources of ignition-No smoking .
RIDADR  UN 1987 3/PG 3
WGK Germany  3
RTECS  NR3020000
HS Code  2905.19.9090
HazardClass  3.2
PackingGroup  III
Storage Class 3 - Flammable liquids
Hazard Classifications Flam. Liq. 3

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