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1-Acetyladamantane

1-Acetyladamantane structure

CAS No:
1660-04-4
Formula:
C12H18O
Chemical Name:
1-Acetyladamantane
Synonyms:
Ethanone,1-tricyclo[3.3.1.13,7]dec-1-yl-;Ketone,1-adamantyl methyl;1-Tricyclo[3.3.1.13,7]dec-1-ylethanone;1-Adamantyl methyl ketone;Methyl 1-adamantyl ketone;1-Acetyladamantane;Adamantyl methyl ketone;1-(1-Adamantyl)ethanone;Methyl adamantyl ketone;1-(Adamantan-1-yl)ethanone;1-(Adamantan-1-yl)ethan-1-one;1-(1-Adamantyl)ethan-1-one
Categories:
Pharmaceutical Intermediates > Blood Glucose Regulators

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Description

WHITE CRYSTALLINE POWDER

1-Acetyladamantane Basic Attributes

Molecular Weight：

178.27

Exact Mass：

178.27

EC Number：

216-761-9

DSSTox ID：

DTXSID60168059

HScode：

2914299000

Characteristics

PSA：

17.1

XLogP3：

2.5

Appearance：

White Crystalline Powder

Density：

0.9172 (rough estimate)

Melting Point：

184-186 °C

Boiling Point：

250.52°C (rough estimate)

Flash Point：

227 °F

Refractive Index：

1.5050 (estimate)

Water Solubility：

Soluble in methanol- very faint turbidity. Insoluble in water.

Storage Conditions：

Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

Vapor Pressure：

0.011mmHg at 25°C

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38

safety instructions：

24/25-36-26

Marks：

Hazard note：

Irritant

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Precautionary statement(s)：

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H315

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P273, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 4 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

1-Acetyladamantane Use and Manufacturing

It is an intermediate for the synthesis of amantadine hydrochloride

Analysis Methods

Name	Column Shape	Active Phase(℃)	Retention index	Temperature Control	Method	Comments	Reference
Kovats' RI, non-polar column, isothermal	Packed	PMS-1000	1430.	230.	isothermal	N2, Chromaton N-AW-DMCS; Column length: 2. m	Arutyunov, Y.I.Kudryashov, S.Y.Onuchak, L.A.Analysis of Mixtures Containing Unknown Components by Gas Chromatography: Determination of Molecular MassJ. Anal. Chem. USSR (Engl. Transl.)2004, 59, 4, 358-365.
Kovats' RI, non-polar column, isothermal	Capillary	SE-30	1443.	145.	isothermal	N2; Column length: 50. m; Column diameter: 0.27 mm	Burkhard, J.Vais, J.Vodicka, L.Landa, S.Adamantane and its derivatives. XVI. The gas chromatographic characterization of adamantane derivativesJ. Chromatogr.1969, 42, 207-218.
Kovats' RI, non-polar column, isothermal	Capillary	SE-30	1463.	160.	isothermal	N2; Column length: 50. m; Column diameter: 0.27 mm	Burkhard, J.Vais, J.Vodicka, L.Landa, S.Adamantane and its derivatives. XVI. The gas chromatographic characterization of adamantane derivativesJ. Chromatogr.1969, 42, 207-218.
Kovats' RI, non-polar column, isothermal	Capillary	SE-30	1476.	175.	isothermal	N2; Column length: 50. m; Column diameter: 0.27 mm	Burkhard, J.Vais, J.Vodicka, L.Landa, S.Adamantane and its derivatives. XVI. The gas chromatographic characterization of adamantane derivativesJ. Chromatogr.1969, 42, 207-218.
Kovats' RI, non-polar column, isothermal	Capillary	SE-30	1491.	190.	isothermal	N2; Column length: 50. m; Column diameter: 0.27 mm	Burkhard, J.Vais, J.Vodicka, L.Landa, S.Adamantane and its derivatives. XVI. The gas chromatographic characterization of adamantane derivativesJ. Chromatogr.1969, 42, 207-218.

Computed Properties

Molecular Weight:178.27
XLogP3:2.5
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:178.135765193
Monoisotopic Mass:178.135765193
Topological Polar Surface Area:17.1
Heavy Atom Count:13
Complexity:213
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Synthesis Route

59239-32-6

59239-32-6

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