4-tert-Pentylcyclohexanone supplier

Name
4-TERT-PENTYLCYCLOHEXANONE
EINECS
CAS No. 16587-71-6
Density 0.906g/cm³
Solubility Soluble in alcohol. Insoluble in water.
Melting Point 96°C
Formula C11H20 O
Boiling Point 230.7°Cat760mmHg
Molecular Weight 168.279
Flash Point 86.1°C
Transport Information
Appearance
Safety Mildly toxic by ingestion. A skin irritant. When heated to decomposition it emits smoke and acrid fumes.
Risk Codes R36/38;
Molecular Structure
Hazard Symbols R36/38:Irritating to eyes and skin.;
Synonyms Cyclohexanone,4-tert-pentyl- (6CI,7CI,8CI); 4-(1,1-Dimethylpropyl)cyclohexanone;4-tert-Amylcyclohexanone; 4-tert-Pentylcyclohexanone; NSC 21167; Orivone
PSA 17.07000
LogP 3.18190

4-tert-Pentylcyclohexanone Chemical Properties

Molecular structure of 4-tert-Pentylcyclohexanone (CAS NO.16587-71-6) is:

Product Name: 4-tert-Pentylcyclohexanone
CAS Registry Number: 16587-71-6
IUPAC Name: 4-(2-methylbutan-2-yl)cyclohexan-1-one
Molecular Weight: 168.2759 [g/mol]
Molecular Formula: C₁₁H₂₀O
XLogP3-AA: 2.9
EINECS: 240-642-0
H-Bond Donor: 0
H-Bond Acceptor: 1
Surface Tension: 31.6 dyne/cm
Density: 0.906 g/cm³
Flash Point: 86.1 °C
Refractive index: 1.4690
Enthalpy of Vaporization: 46.73 kJ/mol
Boiling Point: 230.7 °C at 760 mmHg
Vapour Pressure: 0.0649 mmHg at 25°C
Classification Code: Skin / Eye Irritant

4-tert-Pentylcyclohexanone Toxicity Data With Reference

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
rabbit	LD50	skin	4700mg/kg (4700mg/kg)		Food and Cosmetics Toxicology. Vol. 12, Pg. 819, 1974.
rat	LD50	oral	4700mg/kg (4700mg/kg)		Food and Cosmetics Toxicology. Vol. 12, Pg. 819, 1974.

4-tert-Pentylcyclohexanone Consensus Reports

Reported in EPA TSCA Inventory.

4-tert-Pentylcyclohexanone Safety Profile

Mildly toxic by ingestion. A skin irritant. When heated to decomposition it emits smoke and acrid fumes.
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36/37/39
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

4-tert-Pentylcyclohexanone Specification

4-tert-Pentylcyclohexanone , its cas register number is 16587-71-6. It also can be called 4-(1,1-Dimethylpropyl)cyclohexanone ; 4-07-00-00096 (Beilstein Handbook Reference) ; 4-tert-Amylcyclohexanone ; AI3-39162 ; BRN 2240475 ; Cyclohexanone, 4-(1,1-dimethylpropyl)- ; EINECS 240-642-0 ; NSC 21167 ; Cyclohexanone, 4-(1,1-dimethylpropyl)- ; Cyclohexanone, 4-tert-pentyl- .

Product Name

4-TERT-PENTYLCYCLOHEXANONE

4-tert-Pentylcyclohexanone Chemical Properties

4-tert-Pentylcyclohexanone Toxicity Data With Reference

4-tert-Pentylcyclohexanone Consensus Reports

4-tert-Pentylcyclohexanone Safety Profile

4-tert-Pentylcyclohexanone Specification

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