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Name	1,2,3,5,6,7-Hexahydro-1,1,2,3,3-pentamethyl-4H-inden-4-one	EINECS	251-649-3
CAS No.	33704-61-9	Density	0.966 g/cm³
PSA	17.07000	LogP	3.73810
Solubility	49.1mg/L at 20℃	Melting Point	N/A
Formula	C₁₄H₂₂O	Boiling Point	286.116 °C at 760 mmHg
Molecular Weight	206.328	Flash Point	126.979 °C
Transport Information	N/A	Appearance	N/A
Safety		Risk Codes	22
Molecular Structure		Hazard Symbols	Xn
Synonyms	4(5H)-Indanone,6,7-dihydro-1,1,2,3,3-pentamethyl- (8CI);6,7-Dihydro-1,1,2,3,3-pentamethyl-4(5H)-indanone;	Article Data	8

1,2,3,5,6,7-Hexahydro-1,1,2,3,3-pentamethyl-4H-inden-4-one Synthetic route

: 33704-59-5
2,3,4,5,6,7-hexahydro-1,1,2,3,3-pentamethyl-1H-indene

: 33704-61-9
cashmeran

Conditions

Conditions	Yield
Stage #1: 2,3,4,5,6,7-hexahydro-1,1,2,3,3-pentamethyl-1H-indene With oxygen; cobalt-naphthenate catalyst (ALDRICH, 6 wt percent Co) In mineral spirits; water at 125℃; for 17h; Stage #2: With oxygen; Au-CeO2 catalyst In mineral spirits; water at 125℃; for 24h; Product distribution / selectivity;

: 33704-59-5
2,3,4,5,6,7-hexahydro-1,1,2,3,3-pentamethyl-1H-indene

A: 33711-43-2
1,1,2,3,3-pentamethyl-4-hydroxy-4,5,6,7-tetrahydroindane

B: 33704-61-9
cashmeran

Conditions

Conditions	Yield
With oxygen; cobalt-naphthenate catalyst (ALDRICH, 6 wt percent Co) In mineral spirits; water at 125℃; for 17h; Product distribution / selectivity;

: 7,7,8,9,9-pentamethyllbicyclo[4.3.0]nonan-2-one

: 33704-61-9
cashmeran

Conditions

Conditions	Yield
With Pd(DMSO)2(trifluoroacetate)2; oxygen; acetic acid at 100℃; under 760.051 Torr;	70 %Chromat.

: 5162-44-7
1-bromo-4-butene

: 33704-61-9
cashmeran

: 4-But-3-enyl-1,1,2,3,3-pentamethyl-2,3,4,5,6,7-hexahydro-1H-inden-4-ol

Conditions

Conditions	Yield
With lithium In tetrahydrofuran for 1h; Irradiation;	63%

: 33704-61-9
cashmeran

: 107-18-6
allyl alcohol

: 1,1,2,3,3-pentamethyl-5-prop-2-enyl-2,3,5,6,7-pentahydroinden-4-one

Conditions

Conditions	Yield
With methanesulfonic acid at 80 - 90℃; for 24h; Heating / reflux;

: 33704-61-9
cashmeran

: 563-47-3
3-Chloro-2-methylpropene

: 1,1,2,3,3-pentamethyl-5-(2-methylprop-2-enyl)-2,3,5,6,7-pentahydroinden-4-one

Conditions

Conditions	Yield
Stage #1: cashmeran With lithium diisopropyl amide In tetrahydrofuran at -10 - 0℃; for 2h; Stage #2: 3-Chloro-2-methylpropene at 0 - 60℃; for 22h; Heating / reflux;

: 33704-61-9
cashmeran

: 3473-63-0
formamidine acetic acid

: 1315251-11-6
1,1,2,3,3-pentamethyl-2,3,4,5-tetrahydro-1H-7,9-diaza-cyclopenta[a]naphthalene

Conditions

Conditions	Yield
In butan-1-ol at 118℃; for 4h;

: 33704-61-9
cashmeran

: 7,7,8,9,9-pentamethyllbicyclo[4.3.0]nonan-2-one

Conditions

Conditions	Yield
With hydrogen

: 33704-61-9
cashmeran

: cis-6,6a,7,8,9,9a-hexahydro-7,7,8,9,9-pentamethyl-5H-cyclopenta[H]quinazoline

: trans-6,6a,7,8,9,9a-hexahydro-7,7,8,9,9-pentamethyl-5H-cyclopenta[H]quinazoline

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: butan-1-ol / 4 h / 118 °C 2: hydrogen / palladium on activated charcoal / isopropyl alcohol / 4 h / 180 °C / Sealed autoclave; Inert atmosphere View Scheme

: 33704-61-9
cashmeran

: 1404306-58-6
1,1,2,3,3-pentamethyl-hexahydro-indene-4,5-dione

1,2,3,5,6,7-Hexahydro-1,1,2,3,3-pentamethyl-4H-inden-4-one Chemical Properties

Molecule structure of 1,2,3,5,6,7-Hexahydro-1,1,2,3,3-pentamethyl-4H-inden-4-one (CAS NO.33704-61-9):

IUPAC Name: 1,1,2,3,3-Pentamethyl-2,5,6,7-tetrahydroinden-4-one
Molecular Weight: 206.32388 [g/mol]
Molecular Formula: C₁₄H₂₂O
Index of Refraction: 1.495
Molar Refractivity: 62.34 cm³
Molar Volume: 213.6 cm³
Surface Tension: 31.8 dyne/cm
Density: 0.96 g/cm³
Flash Point: 127 °C
Enthalpy of Vaporization: 52.52 kJ/mol
Boiling Point: 286.1 °C at 760 mmHg
Vapour Pressure: 0.00269 mmHg at 25 °C
XLogP3-AA: 3.3
H-Bond Acceptor: 1
Tautomer Count: 5
Exact Mass: 206.167065
MonoIsotopic Mass: 206.167065
Topological Polar Surface Area: 17.1
Heavy Atom Count: 15
Complexity: 344
Canonical SMILES: CC1C(C2=C(C1(C)C)C(=O)CCC2)(C)C
InChI: InChI=1S/C14H22O/c1-9-13(2,3)10-7-6-8-11(15)12(10)14(9,4)5/h9H,6-8H2,1-5H3
InChIKey: MIZGSAALSYARKU-UHFFFAOYSA-N
EINECS: 251-649-3
Product Categories of 1,2,3,5,6,7-Hexahydro-1,1,2,3,3-pentamethyl-4H-inden-4-one (CAS NO.33704-61-9): Aromatics; Heterocycles; Impurities; Intermediates & Fine Chemicals; Pharmaceuticals

1,2,3,5,6,7-Hexahydro-1,1,2,3,3-pentamethyl-4H-inden-4-one Uses

1,2,3,5,6,7-Hexahydro-1,1,2,3,3-pentamethyl-4H-inden-4-one (CAS NO.33704-61-9) is used as an impurity of Donepezil.

1,2,3,5,6,7-Hexahydro-1,1,2,3,3-pentamethyl-4H-inden-4-one Specification

1,2,3,5,6,7-Hexahydro-1,1,2,3,3-pentamethyl-4H-inden-4-one (CAS NO.33704-61-9) is also named as 6,7-Dihydro-1,1,2,3,3-pentamethyl-4(5H)-indanone ; Cashmeran ; 4H-Inden-4-one, 1,2,3,5,6,7-hexahydro-1,1,2,3,3-pentamethyl- ; 1,1,2,3,3-pentamethyl-1,2,3,5,6,7-hexahydro-4H-inden-4-one .

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