77-74-7

Name 3-Methyl-3-pentanol
CAS 77-74-7
EINECS(EC#) 201-053-4
Molecular Formula C6H14O
MDL Number MFCD00004483
Molecular Weight 102.17
MOL File 77-74-7.mol
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Chemical Properties

Melting point  -38 °C (lit.)
alpha  22 º (c=8,6N HCl)
Boiling point  123 °C (lit.)
density  0.824 g/mL at 25 °C(lit.)
refractive index  n20/D 1.418(lit.)
Fp  115 °F
form  clear liquid
pka 15.38±0.29(Predicted)
color  Colorless to Almost colorless
Odor at 1.00 % in dipropylene glycol. powerful fruity green leafy
Odor Type green
Water Solubility  slightly
Specific Heat Capacity Cp(liquid):293.4J/(g·K),at 25℃
Decomposition  176-178 ºC
BRN  1731456
Henry's Law Constant 2.4×10-1 mol/(m3Pa) at 25℃, Brockbank (2013)
InChI 1S/C6H14O/c1-4-6(3,7)5-2/h7H,4-5H2,1-3H3
InChIKey FRDAATYAJDYRNW-UHFFFAOYSA-N
SMILES CCC(C)(O)CC
LogP 1.603 (est)
CAS DataBase Reference 77-74-7(CAS DataBase Reference)
NIST Chemistry Reference 3-Pentanol, 3-methyl-(77-74-7)
EPA Substance Registry System 77-74-7(EPA Substance)
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Safety Data

Symbol(GHS)  Flame (GHS02)Exclamation Mark (GHS07)
GHS02,GHS07
Signal word  Warning
Hazard statements  H226-H302
Precautionary statements  P210-P233-P240-P241-P242-P301+P312
Hazard Codes  Xn
Risk Statements 
R10:Flammable.
R22:Harmful if swallowed.
Safety Statements 
S24/25:Avoid contact with skin and eyes .
RIDADR  UN 1987 3/PG 3
WGK Germany  3
RTECS  SA7450000
TSCA  TSCA listed
HazardClass  3.2
PackingGroup  III
HS Code  29051990
Storage Class 3 - Flammable liquids
Hazard Classifications Acute Tox. 4 Oral
Flam. Liq. 3

Hazard Information

Material Safety Data Sheet(MSDS)

Spectrum Detail

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