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ChemicalBook--->CAS DataBase List--->16587-71-6

16587-71-6

16587-71-6 Structure

16587-71-6 Structure
IdentificationMore
[Name]

4-TERT-PENTYLCYCLOHEXANONE
[CAS]

16587-71-6
[Synonyms]

4-T-AMYLCYCLOHEXANONE
4-TERT-AMYLCYCLOHEXANONE
4-TERT-PENTYLCYCLOHEXANONE
ORIVONE
PARA TERTIARY AMYL CYCLOHEXANONE
P-TERT-AMYL CYCLOHEXANONE
4-(1,1-dimethylpropyl)-cyclohexanon
4-(1,1-Dimethylpropyl)cyclohexanone
4-(1,1-dimethylpropyl)-Cyclohexanone
4-(2-Methyl-sec-butyl)cyclohexanone
4-tert-pentyl-cyclohexanon
Cyclohexanone, 4-tert-pentyl-
4-(1,1-Dimethylpropyl)cyclohexanone~4-[2-(2-Methylbutyl)]cyclohexanone~4-tert-Pentylcyclohexanone
ISOPENTYLCYCLOHEXANONE
Cyclohexanone, 4-(1,1-dimethylpropyl)-
4-[2-(2-methylbutyl)]cyclohexanone
MIVION
[EINECS(EC#)]

240-642-0
[Molecular Formula]

C11H20O
[MDL Number]

MFCD00013798
[Molecular Weight]

168.28
[MOL File]

16587-71-6.mol
Chemical PropertiesBack Directory
[Melting point ]

96°C
[Boiling point ]

124-125°C 16mm
[density ]

0.92
[vapor pressure ]

4.2Pa at 24℃
[refractive index ]

1.4690
[Fp ]

124-125°C/16mm
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

Insoluble in water, soluble in alcohol and perfume materials.
[form ]

Solid
[color ]

A colourless liquid with a powerful earthy odour
[Odor]

at 10.00 % in dipropylene glycol. woody dry orris earthy camphor
[Odor Type]

woody
[Water Solubility ]

Soluble in alcohol. Insoluble in water.
[BRN ]

2240475
[LogP]

3.9 at 25℃
[CAS DataBase Reference]

16587-71-6(CAS DataBase Reference)
[EPA Substance Registry System]

Cyclohexanone, 4-(1,1-dimethylpropyl)- (16587-71-6)
Safety DataBack Directory
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[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 .
[RTECS ]

GW1960000
[TSCA ]

Yes
[HS Code ]

2914290090
[Toxicity]

LD50 orl-rat: 4700 mg/kg FCTXAV 12,807,74
Hazard InformationBack Directory
[Chemical Properties]

4-TERT-PENTYLCYCLOHEXANONE is a colorless liquid, d20 4 0.919–0.927, n20 D 1.466–1.471,with a powerful, orris-type aroma. Hydrogenation of p-tert-amylphenol over palladium in the presence of borax is described for its synthesis.
It is useful in perfume compositions for, for example, laundry detergents.
[Occurrence]

Has apparently not been reported to occur in nature.
[Uses]

It finds its application as a masking agent and a perfuming agent in cosmetic industry.
[Preparation]

From 4-tert-amylcyclohexanol by chromic acid oxidation (Arctander, 1969).
[Flammability and Explosibility]

Nonflammable
[Trade name]

Orivone (IFF)
[Safety Profile]

Mildly toxic by ingestion. A skinirritant. When heated to decomposition it emits smokeand acrid fumes.
Spectrum DetailBack Directory
[Spectrum Detail]

4-TERT-PENTYLCYCLOHEXANONE(16587-71-6)1HNMR
4-TERT-PENTYLCYCLOHEXANONE(16587-71-6)13CNMR
4-TERT-PENTYLCYCLOHEXANONE(16587-71-6)IR1
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

4-tert-Pentylcyclohexanone, 97%(16587-71-6)
[Sigma Aldrich]

16587-71-6(sigmaaldrich)
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