CAS No.13074-65-2,2-N-HEXYLCYCLOPENTANONE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	13074-65-2
Name:	2-N-HEXYLCYCLOPENTANONE
Article Data:	19

Formula:	C11H20 O
Molecular Weight:	168.279
Synonyms:	2-Hexyl-1-cyclopentanone;2-Hexylcyclopentanone;2-n-Hexylcyclopentanone;Jasmatone;
EINECS:	235-970-6
Density:	0.891 g/cm³
Melting Point:	234.9 °C at 760 mmHg
Boiling Point:	92 ºC at 4 mm Hg
Flash Point:	88.6 °C
Solubility:	at 25 deg C (mg/L): 63.27 Insoluble in water; soluble in alcohol.
Appearance:	light yellow liquid
Safety:	Low toxicity by ingestion and skin contact. When heated to decomposition it emits acrid smoke and irritating vapors.
PSA:	17.07000
LogP:	3.32600

Synthetic route

: 592-41-6
1-hexene

: 120-92-3
cyclopentanone

: 13074-65-2
2-hexylcyclopentanone

Conditions

Conditions	Yield
With tert.-butylhydroperoxide at 150 - 160℃; under 12000.9 - 13501.1 Torr;	68%
With di-tert-butyl peroxide at 130℃; for 6.5h;	43.5%
With 7-azaindoline; chlorobis(cyclooctene)rhodium(I) dimer; tert-Octylamine; toluene-4-sulfonic acid; [1,3-bis(2,4,6-trimethylphenyl)imidazol]-2-ylidene In water at 130℃; for 48h; Catalytic behavior; regioselective reaction;
With di-tert-butyl peroxide at 140 - 160℃; Autoclave;

: 17373-89-6
2-hexylidenecyclopentanone

: 13074-65-2
2-hexylcyclopentanone

Conditions

Conditions	Yield
With hydrogen; palladium on activated charcoal
Ir(CO)(PPh3)2Cl at 240℃;

: 592-41-6
1-hexene

: 37160-52-4
lithium cyclopent-1-enolate

: 13074-65-2
2-hexylcyclopentanone

Conditions

Conditions	Yield
Yield given. Multistep reaction;

: 58567-72-9
(2-Hexyl-cyclopent-1-enylsulfanyl)-benzene

: 13074-65-2
2-hexylcyclopentanone

Conditions

Conditions	Yield
With water; titanium tetrachloride; acetic acid

: 39834-30-5
1-Trimethylsiloxy-2-n-hexylcyclopenten

: 13074-65-2
2-hexylcyclopentanone

Conditions

Conditions	Yield
(hydrolysis);
With hydrogenchloride

: 111-25-1
1-bromo-hexane

: 14090-60-9
2-cyclopentylidene-1,1-dimethylhydrazine

: 13074-65-2
2-hexylcyclopentanone

Conditions

Conditions	Yield
With potassium dihydrogenphosphate; n-butyllithium; phosphonic Acid 1.) THF, -30 deg C, 1 h, 2.) 25 deg C, 2 h, 3.) 25 deg C, overnight; Yield given. Multistep reaction;

(+-)-1-hexyl-cyclopenten-(2)-one-(5): (+-)-1-hexyl-cyclopenten-(2)-one-(5)

: 13074-65-2
2-hexylcyclopentanone

Conditions

Conditions	Yield
With ethanol; nickel Hydrogenation;

1-hexyl-cyclopenten-(1)-one-(5): 1-hexyl-cyclopenten-(1)-one-(5)

: 13074-65-2
2-hexylcyclopentanone

Conditions

Conditions	Yield
With ethanol; nickel Hydrogenation;

1-hexylidene-cyclopentanone-(2): 1-hexylidene-cyclopentanone-(2)

: 13074-65-2
2-hexylcyclopentanone

Conditions

Conditions	Yield
Hydrogenation;

: 120-92-3
cyclopentanone

2-methyl-phenethyl magnesium chloride: 2-methyl-phenethyl magnesium chloride

: 13074-65-2
2-hexylcyclopentanone

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 2: 1.) n-BuLi, 3.) KH2OP4, H3PO3 / 1.) THF, -30 deg C, 1 h, 2.) 25 deg C, 2 h, 3.) 25 deg C, overnight View Scheme

Total:38 Page 1 of 1 1

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Chemistry

Molecular Structure of 2-Hexylcyclopentanone (CAS NO.13074-65-2):

EINECS: 235-970-6
IUPAC Name: 2-Hexylcyclopentan-1-one
Molecular Formula: C₁₁H₂₀O
Molecular Weight: 168.275900 g/mol
XLogP3-AA: 3.5
H-Bond Donor: 0
H-Bond Acceptor: 1
Canonical SMILES: CCCCCCC1CCCC1=O
InChI: InChI=1S/C11H20O/c1-2-3-4-5-7-10-8-6-9-11(10)12/h10H,2-9H2,1H3
InChIKey: JTHVYOIHZNYRCC-UHFFFAOYSA-N
Index of Refraction: 1.453
Molar Refractivity: 51.04 cm³
Molar Volume: 188.8 cm³
Surface Tension: 30.6 dyne/cm
Density: 0.891 g/cm³
Flash Point: 88.6 °C
Enthalpy of Vaporization: 47.16 kJ/mol
Boiling Point: 234.9 °C at 760 mmHg
Vapour Pressure: 0.0517 mmHg at 25 °C
Water Solubility: mg/L at 25 °C
Refractive Index: 1.4495
BRN: 2041950

Toxicity Data With Reference

1.		orl-rat LD50:>5 g/kg		FCTOD7 Food and Chemical Toxicology. 26 (1988),349.
2.		skn-rbt LDLo:5 g/kg		FCTOD7 Food and Chemical Toxicology. 26 (1988),349.

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Safety Information of 2-Hexylcyclopentanone (CAS NO.13074-65-2):
RTECS: GY4972000
Low toxicity by ingestion and skin contact. When heated to decomposition it emits acrid smoke and irritating vapors.

Specification

2-Hexylcyclopentanone with CAS Registry Number of 13074-65-2 is also known as 2-n-Hexylcyclopentanone ; 4-07-00-00099 (Beilstein Handbook Reference) ; 2-Hexylcyclopentan-1-one ; Cyclopentanone, 2-hexyl- .