ChemicalBook--->CAS DataBase List--->943-27-1

943-27-1

943-27-1 Structure

943-27-1 Structure
IdentificationMore
[Name]

4'-tert-Butylacetophenone
[CAS]

943-27-1
[Synonyms]

1-[4-(TERT-BUTYL)PHENYL]ETHAN-1-ONE
4'-TERT-BUTYLACETOPHENONE
4-TERT-BUTYLACETOPHENONE
ASISCHEM D29255
P-T-BUTYLACETOPHENONE
1-(4-tert-Butylphenyl)ethanone
1-[4-(1,1-dimethylethyl)phenyl]-ethanon
1-[4-(1,1-dimethylethyl)phenyl]-Ethanone
4'-t-Butylacetophenone
Acetophenone, 4'-tert-butyl-
Ethanone,1-[4-(1,1-dimethylethyl)phenyl]-
p-tert-Butylacetophenone
4'-tert-Butylacetophenone,98%
PHENOMUSCOL
p-tert-Butylacetophenon
4-TERT-BUTYLACETOPHENONE/4-ISOBUTYL ACETOPHENONE
4''-TERT-BUTYLACETOPHENONE 98%
1-(4-tertbutylpheny)ethanone
[EINECS(EC#)]

213-399-3
[Molecular Formula]

C12H16O
[MDL Number]

MFCD00017256
[Molecular Weight]

176.25
[MOL File]

943-27-1.mol
Chemical PropertiesBack Directory
[Appearance]

clear colorless liquid
[Melting point ]

17-18 °C (dimorphic)(lit.)
[Boiling point ]

107-108 °C5 mm Hg(lit.)
[density ]

0.964 g/mL at 25 °C(lit.)
[refractive index ]

n20/D 1.52(lit.)
[Fp ]

86 °F
[storage temp. ]

Flammables area
[solubility ]

Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
[form ]

Liquid
[color ]

Clear colorless
[Specific Gravity]

0.964
[Water Solubility ]

insoluble
[Cosmetics Ingredients Functions]

PERFUMING
[InChI]

1S/C12H16O/c1-9(13)10-5-7-11(8-6-10)12(2,3)4/h5-8H,1-4H3
[InChIKey]

UYFJYGWNYQCHOB-UHFFFAOYSA-N
[SMILES]

CC(=O)c1ccc(cc1)C(C)(C)C
[LogP]

3.521 (est)
[CAS DataBase Reference]

943-27-1(CAS DataBase Reference)
[NIST Chemistry Reference]

Ethanone, 1-[4-(1,1-dimethylethyl)phenyl]-(943-27-1)
[EPA Substance Registry System]

943-27-1(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

Xn,Xi
[Risk Statements ]

R10:Flammable.
R36/37/38:Irritating to eyes, respiratory system and skin .
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
[Safety Statements ]

S16:Keep away from sources of ignition-No smoking .
S29:Do not empty into drains .
S33:Take precautionary measures against static discharges .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
[RIDADR ]

UN 1224 3/PG 3
[WGK Germany ]

2
[TSCA ]

T
[HazardClass ]

3.2
[PackingGroup ]

III
[HS Code ]

29143990
[Storage Class]

3 - Flammable liquids
[Hazard Classifications]

Flam. Liq. 3
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Mercury, (1,1-dimethylethyl)iodo--->Ethyl 3-(4-tert-butylphenyl)propiolate-->1-tert-Butyl-4-ethylbenzene-->4-tert-Butylphenyl trifluoromethanesulfonate-->2-(Vinyloxy)ethyldimethylamine-->4-tert-Butylstyrene-->4-(tert-Butyl)phenylacetylene-->4-tert-Butylphenylboronic acid-->n-Butyl vinyl ether-->Acetyl chloride-->4'-Chloroacetophenone-->Acetophenone
[Preparation Products]

Musk ketone-->4-tert-Butylphenylacetic acid
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

1-[4-(tert-Butyl)phenyl]ethan-1-one(943-27-1).msds
Hazard InformationBack Directory
[Chemical Properties]

clear colorless liquid
[Uses]

4-tert-Butylacetophenone is an Impurity arising in the synthesis of Ebastine (E320000). Ebastine Impurity B.
[General Description]

4′-tert-Butylacetophenone is a para-substituted acetophenone.
[Synthesis]

p-Tert-butyl acetophenone was prepared as follows: in a 2 ml reaction vial 2-(4-(tert-butyl)phenyl)propan-2-ol (59.4 mg, 0.3 mmol), AgNO3 (1.6 mg, 3 mol%), Bi(OTf)3 (6 mg, 3 mol%) and K2S2O8 (245.8 mg. 3eq), and finally 2 wt% aqueous DAPGS-750-M (0.6 ml,
Spectrum DetailBack Directory
[Spectrum Detail]

4'-tert-Butylacetophenone(943-27-1)1HNMR
4'-tert-Butylacetophenone(943-27-1)Raman
4'-tert-Butylacetophenone(943-27-1)FT-IR
4'-tert-Butylacetophenone(943-27-1)IR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

4'-tert-Butylacetophenone, 98%(943-27-1)
[Alfa Aesar]

4'-tert-Butylacetophenone, 98%(943-27-1)
[Sigma Aldrich]

943-27-1(sigmaaldrich)
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