ChemicalBook--->CAS DataBase List--->645-13-6

645-13-6

645-13-6 Structure

645-13-6 Structure
IdentificationMore
[Name]

4'-Isopropylacetophenone
[CAS]

645-13-6
[Synonyms]

1-[4-(1-methylethyl)phenyl]ethan-1-one
4'-ISOPROPYLACETOPHENONE
4-ISOPROPYLACETOPHENONE
(4-ISO-PROPYLPHENYL)ETHANONE
FEMA 2927
LABOTEST-BB LT00261439
P-ISOPROPYLACETOPHENONE
1-(4-Isopropylphenyl)ethanone
1-[4-(1-methylethyl)phenyl]-ethanon
1-[4-(1-methylethyl)phenyl]-Ethanone
Acetophenone, 4'-isopropyl-
Cuminone
4'-Isopropylacetophenone,98%
Ethanone, 1-4-(1-methylethyl)phenyl-
PARA-ISOPROPYLACETOPHENONE
[EINECS(EC#)]

211-433-1
[Molecular Formula]

C11H14O
[MDL Number]

MFCD00048297
[Molecular Weight]

162.23
[MOL File]

645-13-6.mol
Chemical PropertiesBack Directory
[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)
Safety DataBack Directory
[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
Hazard InformationBack Directory
[Description]

p-Isopropylacetophenone has an odor reminiscent of orris and basil. It has a warm, spicy flavor. May be synthesized by condensing cymene with acetyl chloride in the presence of AlCl3; also from benzol, acetyl chloride, and isopropyl chloride via Friedel Crafts.
[Chemical Properties]

clear almost colorless to yellow liquid
[Chemical Properties]

p-Isopropylacetophenone has a spicy, woody, herbaceous odor reminiscent of orris and basil. It has a warm, spicy flavor
[Occurrence]

Reported found in oil of lavandin, starfruit and dried bonito
[Uses]

4'-Isopropylacetophenone is used as perfuming agents. It is also used as flavoring and fragrance agent. Indenes are yielded from the derivatives if this compound in one step synthesis using a heterogeneous catalyst.
[Preparation]

By condensing cymene with acetyl chloride in the presence of AlCl3; also from benzol, acetyl chloride and isopropyl chloride via Friedel–Craft
Spectrum DetailBack Directory
[Spectrum Detail]

4'-Isopropylacetophenone(645-13-6)MS
4'-Isopropylacetophenone(645-13-6)IR1
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

4'-Isopropylacetophenone, 96%(645-13-6)
[Alfa Aesar]

4'-Isopropylacetophenone, 98%(645-13-6)
[TCI AMERICA]

4'-Isopropylacetophenone,>95.0%(GC)(645-13-6)
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