1,3-Adamantanediol  5001-18-3 in stock factory   1,3-Dihydroxyadamantane

 

1,3-Adamantanediol  5001-18-3 in stock factory   1,3-Dihydroxyadamantane

Product Name:    1,3-Dihydroxyadamantane
Synonyms:    AdaMantaneglycol1,3-;1,3-Adamantanediol >=99.0% (GC);1,3-Adamantanediol 1,3-Dihydroxyadamantane in stock Factory;1,3-ADAMANTANDIOL;1,3-DIHYDROXYADAMANTANE;Vildagliptin Impurity 18;ADAMANTANE-1,3-DIOL;AKOS BC-0470
CAS:    5001-18-3
MF:    C10H16O2
MW:    168.23
EINECS:    
Product Categories:    Organic Building Blocks;Oxygen Compounds;Pharmaceutical Intermediates;Adamantane derivatives;Polyols;NULL;Adamantanes;Building Blocks;Chemical Synthesis
Mol File:    5001-18-3.mol

Melting point     ~260 °C
BRN     7013501
InChIKey    MOLCWHCSXCKHAP-UHFFFAOYSA-N
CAS DataBase Reference    5001-18-3(CAS DataBase Reference)
Safety Information
WGK Germany     3
HazardClass     IRRITANT
HS Code     29061990

1,3-Dihydroxyadamantane Usage And Synthesis
Chemical Properties    white crystal
1,3-Dihydroxyadamantane Preparation Products And Raw materials
Raw materials    Etanol-->Sodium hydroxide-->Dichloromethane-->Acetic acid glacial-->PETROLEUM ETHER-->Nitric acid-->Bromine-->1,4-Dioxane-->Iron-->Calcium carbonate-->Oxygen-->SODIUM SULPHIDE HYDRATE-->Silver nitrate-->Cobalt acetate-->Adamantane-->N-Hydroxyphthalimide

 1,3-Adamantanediol is used in the synthesis of novel dimethacrylate as possible dental monomers for dental resin mixtures.
Basic Info
Chemical Name     1,3-Adamantanediol
Synonyms     

adamantane-1,3-diol; 1,3-Dihydroxyadamantane;
CAS No.     5001-18-3
Molecular Formula     C10H16O2
Molecular Weight     168.23300
PSA     40.46000
LogP     1.06240
Properties
Appearance & Physical State     white crystal
Density     1.368 g/cm3
Boiling Point     320.4ºC at 760 mmHg
Melting Point     -260ºC
Flash Point     158.5ºC
Refractive Index     1.656
Vapor Pressure     2.59E-05mmHg at 25°C
Safety Info
HS Code     2906199090
WGK Germany     3
Synthesis Route

 

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

Version: 1.0

Creation Date: Aug 11, 2017

Revision Date: Aug 11, 2017
1.Identification
1.1 GHS Product identifier
Product name     1,3-Adamantanediol
1.2 Other means of identification
Product number     -
Other names     adamantane-1,3-diol
1.3 Recommended use of the chemical and restrictions on use
Identified uses     For industry use only.
Uses advised against     no data available

Physical and chemical properties
Physical state     white crystal
Colour     no data available
Odour     no data available
Melting point/ freezing point     258°C(lit.)
Boiling point or initial boiling point and boiling range     198°C
Flammability     no data available
Lower and upper explosion limit / flammability limit     no data available
Flash point     131°C(lit.)
Auto-ignition temperature     no data available
Decomposition temperature     no data available
pH     no data available
Kinematic viscosity     no data available
Solubility     no data available
Partition coefficient n-octanol/water (log value)     no data available
Vapour pressure     2.59E-05mmHg at 25°C
Density and/or relative density     1.368 g/cm3
Relative vapour density     no data available
Particle characteristics     no data available

 

1,3-Adamantanediol  5001-18-3  NMR Spectrum Predict 1H proton NMR

 

 

Name		1,3-Dihydroxyadamantane
Molecular Structure
Molecular Formula		C10H16O2
Molecular Weight		168.23
CAS Registry Number		5001-18-3
Properties
Melting point		255-265 ºC
Safety Data
MSDS		Available

 

 

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