645-13-6

Name 4'-Isopropylacetophenone
CAS 645-13-6
EINECS(EC#) 211-433-1
Molecular Formula C11H14O
MDL Number MFCD00048297
Molecular Weight 162.23
MOL File 645-13-6.mol
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Chemical Properties

Appearance clear almost colorless to yellow liquid
Melting point  254 C
Boiling point  119-120 °C (10 mmHg)
density  0,97 g/cm3
FEMA  2927
refractive index  1.522-1.524
Fp  238°C
storage temp.  Store below +30°C.
solubility  Chloroform (Slightly), Methanol (Sparingly)
form  Oil
color  Colourless
Odor at 100.00 %. spicy woody herbal orris
Odor Type orris
Water Solubility  Soluble in alcohol. Insoluble in water.
JECFA Number 808
BRN  2205694
Cosmetics Ingredients Functions PERFUMING
InChI 1S/C11H14O/c1-8(2)10-4-6-11(7-5-10)9(3)12/h4-8H,1-3H3
InChIKey PDLCCNYKIIUWHA-UHFFFAOYSA-N
SMILES CC(C)c1ccc(cc1)C(C)=O
LogP 3.00
CAS DataBase Reference 645-13-6(CAS DataBase Reference)
NIST Chemistry Reference Ethanone, 1-[4-(1-methylethyl)phenyl]-(645-13-6)
EPA Substance Registry System 4-Isopropylacetophenone (645-13-6)
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Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H302-H315-H319-H335
Precautionary statements  P261-P280-P301+P312-P302+P352-P305+P351+P338
Hazard Codes  Xi,F
Risk Statements 
R10:Flammable.
R36/37/38:Irritating to eyes, respiratory system and skin .
Safety Statements 
S24/25:Avoid contact with skin and eyes .
S36:Wear suitable protective clothing .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
RIDADR  1224
WGK Germany  WGK 3 highly water endangering
Hazard Note  Flammable/Irritant
TSCA  Yes
REACH Registrations Active
PackingGroup  III
HS Code  29143900
Storage Class 11 - Combustible Solids

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