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CAS

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39917-38-9

1-(3-Hydroxy-Adamantan-1-yl)-Ethanone is a chemical compound with the molecular formula C12H20O2. It is a derivative of adamantane, a highly symmetrical and stable carbon cage structure, and features a hydroxyl group attached to the adamantane core. 1-(3-HYDROXY-ADAMANTAN-1-YL)-ETHANONE is known for its unique chemical properties and potential applications in various fields.

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  • 39917-38-9 Structure

  • Basic information

    1. Product Name: 1-(3-HYDROXY-ADAMANTAN-1-YL)-ETHANONE
    2. Synonyms: 1-(3-Hydroxyadamantan-1-yl)ethanone;3-Hydroxy-1-Acetyl Adamantane;1-(3-hydroxy-1-adamantyl)ethanone(SALTDATA: FREE);1-acetyl-3-adaMantanol;Saxaint-N;1-(3-hydroxyadamantan-1-yl)ethan-1-one;3-Hydroxy-1-adamantanyl ketone, 98%
    3. CAS NO:39917-38-9
    4. Molecular Formula: C12H18O2
    5. Molecular Weight: 194.27
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 39917-38-9.mol

  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 303.02 °C at 760 mmHg
    3. Flash Point: 127.946 °C
    4. Appearance: /
    5. Density: 1.236 g/cm3
    6. Vapor Pressure: 9.2E-05mmHg at 25°C
    7. Refractive Index: 1.586
    8. Storage Temp.: 2-8°C
    9. Solubility: N/A
    10. CAS DataBase Reference: 1-(3-HYDROXY-ADAMANTAN-1-YL)-ETHANONE(CAS DataBase Reference)
    11. NIST Chemistry Reference: 1-(3-HYDROXY-ADAMANTAN-1-YL)-ETHANONE(39917-38-9)
    12. EPA Substance Registry System: 1-(3-HYDROXY-ADAMANTAN-1-YL)-ETHANONE(39917-38-9)

  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 39917-38-9(Hazardous Substances Data)

39917-38-9 Usage

Uses

Used in Chemical Synthesis:
1-(3-Hydroxy-Adamantan-1-yl)-Ethanone is used as a reactant in the insertion reaction of adamantanes with dimethyldioxirane. This reaction is an important step in the synthesis of various organic compounds, as it allows for the selective functionalization of the adamantane core.
Used in Pharmaceutical Industry:
1-(3-Hydroxy-Adamantan-1-yl)-Ethanone is used in the synthesis of metabolites of rimantadine, an antiviral drug. Rimantadine is used to treat influenza A virus infections, and the synthesis of its metabolites can help in understanding the drug's mechanism of action and potential side effects.

Check Digit Verification of cas no

The CAS Registry Mumber 39917-38-9 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 3,9,9,1 and 7 respectively; the second part has 2 digits, 3 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 39917-38:
(7*3)+(6*9)+(5*9)+(4*1)+(3*7)+(2*3)+(1*8)=159
159 % 10 = 9
So 39917-38-9 is a valid CAS Registry Number.
InChI:InChI=1/C12H18O2/c1-8(13)11-3-9-2-10(4-11)6-12(14,5-9)7-11/h9-10,14H,2-7H2,1H3

39917-38-9SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name 1-(3-hydroxy-1-adamantyl)ethanone

1.2 Other means of identification

Product number -
Other names 3-hydroxy-1-adamantanyl ketone

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:39917-38-9 SDS

39917-38-9Relevant articles and documents

Catalytic radical acetylation of adamantanes with biacetyl by a cobalt salt under atmospheric dioxygen

Kishi, Arata,Kato, Susumu,Sakaguchi, Satoshi,Ishii, Yasutaka

, p. 1421 - 1422 (2007/10/03)

Exposure of a mixture of adamantane and biacetyl under O2 in the presence of Co(OAc)2 (0.1 mol%) in AcOH led to 1-acetyladamantane (47%) and 1,3-diacetyladamantane (20%) as major products along with small amounts of adamantan-1-ol (4%) and adamantan-2-one (3%).

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