5471-51-2

Name 4-(4-Hydroxyphenyl)-2-butanone
CAS 5471-51-2
EINECS(EC#) 226-806-4
Molecular Formula C10H12O2
MDL Number MFCD00002394
Molecular Weight 164.2
MOL File 5471-51-2.mol

Chemical Properties

Appearance white to slightly yellow powder or needles
Melting point  81-85 °C (lit.)
Boiling point  200°C
density  1.0326 (rough estimate)
vapor pressure  40Pa at 25℃
FEMA  2588
refractive index  1.5250 (estimate)
storage temp.  under inert gas (argon)
solubility  95% ethanol: soluble50mg/mL, clear to slightly hazy, colorless to faint yellow or tan
form  Liquid
pka 9.99±0.15(Predicted)
color  Clear colorless
Odor at 10.00 % in dipropylene glycol. sweet berry jam raspberry ripe floral
biological source synthetic
Odor Type berry
Water Solubility  Insoluble in water.
Usage Intermediates of Liquid Crystals
Detection Methods HPLC,NMR
JECFA Number 728
BRN  776080
Henry's Law Constant 1.8×104 mol/(m3Pa) at 25℃, HSDB (2015)
Major Application flavors and fragrances
Cosmetics Ingredients Functions PERFUMING
FRAGRANCE
SKIN CONDITIONING
InChI 1S/C10H12O2/c1-8(11)2-3-9-4-6-10(12)7-5-9/h4-7,12H,2-3H2,1H3
InChIKey NJGBTKGETPDVIK-UHFFFAOYSA-N
SMILES CC(=O)CCc1ccc(O)cc1
LogP 0.935-1.33 at 20℃
CAS DataBase Reference 5471-51-2(CAS DataBase Reference)
NIST Chemistry Reference 2-Butanone, 4-(4-hydroxyphenyl)-(5471-51-2)
EPA Substance Registry System 5471-51-2(EPA Substance)

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H302
Precautionary statements  P301+P312+P330
Hazard Codes  Xn,Xi
Risk Statements 
R22:Harmful if swallowed.
Safety Statements 
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 .
WGK Germany  2
RTECS  EL8925000
Hazard Note  Irritant
TSCA  Yes
REACH Registrations Active
HS Code  29145000
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Oral
Safety Profile
Poison by intraperitoneal route. Moderately toxic by ingestion. Flammable liquid. When heated to decomposition it emits acrid smoke and irritating fumes. See also KETONES.
Hazardous Substances Data 5471-51-2(Hazardous Substances Data)

Hazard Information

Material Safety Data Sheet(MSDS)

Questions And Answer

Supplier