adamantanone

Modify Date: 2025-08-21 20:24:48

adamantanone Structure
adamantanone structure
 Common Name adamantanone
CAS Number 700-58-3 Molecular Weight 150.218
Density 1.1±0.1 g/cm3 Boiling Point 246.7±8.0 °C at 760 mmHg
Molecular Formula C10H14O Melting Point 256-258 °C (subl.)(lit.)
MSDS Chinese USA Flash Point 95.7±10.7 °C

 Use of adamantanone


Adamantanone (2-Adamantone) is a bioactive chemical, and can be used for the synthesis of active compound[1].

 Names

Name adamantanone
Synonym More Synonyms

 adamantanone Biological Activity

Description Adamantanone (2-Adamantone) is a bioactive chemical, and can be used for the synthesis of active compound[1].
Related Catalog

 Chemical & Physical Properties

Density 1.1±0.1 g/cm3
Boiling Point 246.7±8.0 °C at 760 mmHg
Melting Point 256-258 °C (subl.)(lit.)
Molecular Formula C10H14O
Molecular Weight 150.218
Flash Point 95.7±10.7 °C
Exact Mass 150.104462
PSA 17.07000
LogP 1.60
Vapour Pressure 0.0±0.5 mmHg at 25°C
Index of Refraction 1.535
InChIKey IYKFYARMMIESOX-UHFFFAOYSA-N
SMILES O=C1C2CC3CC(C2)CC1C3
Water Solubility methanol: 0.1 g/mL, clear

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
AU5018000
CHEMICAL NAME :
2-Adamantanone
CAS REGISTRY NUMBER :
700-58-3
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C10-H14-O
MOLECULAR WEIGHT :
150.24
WISWESSER LINE NOTATION :
L66 B6/B-H/DI A B- C 1B I AVTJ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
780 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
PCJOAU Pharmaceutical Chemistry Journal (English Translation). Translation of KHFZAN. (Plenum Pub. Corp., 233 Spring St., New York, NY 10013) No.1- 1967- Volume(issue)/page/year: 10,454,1976

 Safety Information

Personal Protective Equipment Eyeshields;Gloves
Hazard Codes Xi: Irritant;
Risk Phrases R52
Safety Phrases S22-S24/25
RIDADR NONH for all modes of transport
WGK Germany 2
RTECS AU5018000
HS Code 29142900

 Synthetic Route

 Customs

HS Code 2914299000
Summary 2914299000. other cyclanic, cyclenic or cyclotherpenic ketones without other oxygen function. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:5.5%. General tariff:30.0%

 Articles16

More Articles
Effect of adamantanone derivative possessing anti-HIV properties on the redox processes in the cytochrome P-450 system.

Dokl. Biochem. Biophys. 378 , 210-3, (2001)

Conformational relaxation in hemoproteins: the cytochrome P-450cam case.

Biochemistry 39(46) , 14219-31, (2000)

Photodissociation of (CO)P-450(cam)(substrate) complexes was found to trigger a conformational relaxation process that interferes with ligand rebinding at temperatures as low as 140 K even though the ...

The structural basis for substrate-induced changes in redox potential and spin equilibrium in cytochrome P-450CAM.

Biochemistry 28(2) , 917-22, (1989)

The crystal structures of cytochrome P-450CAM complexed with the alternative substrates norcamphor and adamantanone have been refined at 2.0-A resolution and compared with the native, camphor-bound fo...

 Synonyms

2-Adamantanone
MFCD00074737
Tricyclo[3.3.1.1(3,7)]decanone
2-Adamantone
2-Oxoadamantane
adamantan-2-one
Tricyclo(3,3,1,13,7)decanone
Tricyclo[3.3.1.1]decan-2-on
EINECS 211-847-2
4,6-Dehydroadamantanone
adamantanone
Tricyclo[3.3.1.1]decan-2-one
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