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Tetrahydropyran-2-methanol

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Name

Tetrahydropyran-2-methanol

EINECS 202-882-4
CAS No. 100-72-1 Density 1 g/cm3
PSA 29.46000 LogP 0.54780
Solubility N/A Melting Point 187 °C
Formula C6H12O2 Boiling Point 183.9 °C at 760 mmHg
Molecular Weight 116.16 Flash Point 93.3 °C
Transport Information N/A Appearance clear colourless to very slightly yellow liquid
Safety 26-36-24/25 Risk Codes 36/38
Molecular Structure Molecular Structure of 100-72-1 (TETRAHYDROPYRAN-2-METHANOL) Hazard Symbols IrritantXi
Synonyms

Pyran-2-methanol,tetrahydro- (6CI,7CI);2-(Hydroxymethyl)tetrahydropyran;2-Tetrahydropyranylcarbinol;3,4,5,6-Tetrahydro-2H-pyran-2-methanol;NSC 5221;NSC 66493;Tetrahydro-2H-pyran-2-methanol;Tetrahydro-2H-pyran-2-ylmethanol;Tetrahydropyran-2-carbinol;

Article Data 40

Tetrahydropyran-2-methanol Specification

The IUPAC name of Tetrahydropyran-2-ylmethanol is oxan-2-ylmethanol. With the CAS registry number 100-72-1, it is also named as 2-Hydroxymethyltetrahydropyran; Pyran-2-methanol, tetrahydro-. The product's categories are blocks and heterocycles. Furthermore, it is clear colourless to very slightly yellow liquid which is incompatible with strong oxidizing agents. When heated to decomposition, it yields irritating and toxic fumes and gases. 

The other characteristics of this product can be summarized as: (1)ACD/LogP: 0.18; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.18; (4)ACD/LogD (pH 7.4): 0.18; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 29.76; (8)ACD/KOC (pH 7.4): 29.76; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.445; (13)Molar Refractivity: 30.89 cm3; (14)Molar Volume: 116 cm3; (15)Polarizability: 12.24×10-24 cm3; (16)Surface Tension: 36.8 dyne/cm; (17)Enthalpy of Vaporization: 48.9 kJ/mol; (18)Vapour Pressure: 0.216 mmHg at 25°C; (19)Rotatable Bond Count: 1; (20)Exact Mass: 116.08373; (21)MonoIsotopic Mass: 116.08373; (22)Topological Polar Surface Area: 29.5; (23)Heavy Atom Count: 8.

Uses of Tetrahydropyran-2-ylmethanol: It reacts with succinic acid ; lithium succinate to get (tetrahydropyran-2-ylmethoxy)butanedioic acid. This reaction needs reagent LaCl3*1.8H2O at temperature of 140 °C. The reaction time is 19 hours. The yield is 89%.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes and skin, so people should avoid contact with skin and eyes. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing.

People can use the following data to convert to the molecule structure. 
1. SMILES: OCC1OCCCC1;
2. InChI: InChI=1/C6H12O2/c7-5-6-3-1-2-4-8-6/h6-7H,1-5H2.

The following are the toxicity data which has been tested.

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 2870mg/kg (2870mg/kg)   Shell Chemical Company. Unpublished Report. Vol. -, Pg. 6, 1961.
rabbit LD50 skin 4mL/kg (4mL/kg)   AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 10, Pg. 61, 1954.
rat LD50 oral 3730mg/kg (3730mg/kg)   AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 10, Pg. 61, 1954.

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