918-85-4

Name 3-METHYL-1-PENTEN-3-OL
CAS 918-85-4
EINECS(EC#) 213-044-2
Molecular Formula C6H12O
MDL Number MFCD00004481
Molecular Weight 100.16
MOL File 918-85-4.mol
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Chemical Properties

Melting point  22.55°C (estimate)
Boiling point  117-118 °C(lit.)
density  0.838 g/mL at 25 °C(lit.)
vapor pressure  9.14-62.51hPa at 20-50℃
refractive index  n20/D 1.428(lit.)
Fp  78 °F
pka 14.56±0.29(Predicted)
Water Solubility  Not miscible or difficult to mix in water. Soluble in alcohol.
InChI 1S/C6H12O/c1-4-6(3,7)5-2/h4,7H,1,5H2,2-3H3
InChIKey HFYAEUXHCMTPOL-UHFFFAOYSA-N
SMILES CCC(C)(O)C=C
LogP 1.402 (est)
CAS DataBase Reference 918-85-4(CAS DataBase Reference)
EPA Substance Registry System 1-Penten-3-ol, 3-methyl- (918-85-4)

Safety Data

Hazard Codes  Xn
Risk Statements 
R10:Flammable.
R22:Harmful if swallowed.
Safety Statements 
S16:Keep away from sources of ignition-No smoking .
S36:Wear suitable protective clothing .
RIDADR  UN 1987 3/PG 3
WGK Germany  3
RTECS  SB3495000
TSCA  Yes
REACH Registrations Active
HazardClass  3
PackingGroup  III
Storage Class 3 - Flammable liquids
Hazard Classifications Acute Tox. 4 Oral
Flam. Liq. 3

Hazard Information

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