107-54-0

Name 3,5-DIMETHYL-1-HEXYN-3-OL
CAS 107-54-0
EINECS(EC#) 203-500-9
Molecular Formula C8H14O
MDL Number MFCD00008941
Molecular Weight 126.2
MOL File 107-54-0.mol

Chemical Properties

Appearance clear colorless to yellowish liquid
Melting point  -39°C (estimate)
Boiling point  150-151 °C (lit.)
density  0.859 g/mL at 25 °C(lit.)
vapor density  4.34 (vs air)
vapor pressure  4.5 mm Hg ( 20 °C)
refractive index  n20/D 1.434(lit.)
Fp  112 °F
storage temp.  Flammables area
solubility  soluble in Chloroform, Ethyl Acetate
form  clear liquid
pka 13.34±0.29(Predicted)
color  Colorless to Light yellow to Light orange
Specific Gravity 0.854 (20/4℃)
Odor camphor-like odor
Water Solubility  11.6g/L at 20℃
Detection Methods GC,NMR
InChI 1S/C8H14O/c1-5-8(4,9)6-7(2)3/h1,7,9H,6H2,2-4H3
InChIKey NECRQCBKTGZNMH-UHFFFAOYSA-N
SMILES CC(C)CC(C)(O)C#C
LogP 1.85
CAS DataBase Reference 107-54-0(CAS DataBase Reference)
EPA Substance Registry System 3,5-Dimethyl-1-hexyn-3-ol (107-54-0)

Safety Data

Symbol(GHS)  Flame (GHS02)Skull and Crossbones (GHS06)
GHS02,GHS06
Signal word  Danger
Hazard statements  H226-H301+H311+H331-H319
Precautionary statements  P210-P280-P301+P310-P303+P361+P353-P304+P340+P311-P305+P351+P338
Hazard Codes  T
Risk Statements 
R10:Flammable.
R23/24/25:Toxic by inhalation, in contact with skin and if swallowed .
R36:Irritating to the eyes.
Safety Statements 
S16:Keep away from sources of ignition-No smoking .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
RIDADR  UN 1986 3/PG 3
WGK Germany  3
TSCA  TSCA listed
REACH Registrations Active
HazardClass  3.2
PackingGroup  III
HS Code  29052900
Storage Class 3 - Flammable liquids
Hazard Classifications Acute Tox. 3 Dermal
Acute Tox. 3 Inhalation
Acute Tox. 3 Oral
Eye Irrit. 2
Flam. Liq. 3

Raw materials And Preparation Products

Hazard Information

Well-known Reagent Company Product Information

Supplier