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70283-74-8

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Basic Information
CAS No.: 70283-74-8
Name: 4,6-DECADIYN-1,10-DIOL
Article Data: 14
Molecular Structure:
Molecular Structure of 70283-74-8 (4,6-DECADIYN-1,10-DIOL)
Formula: C10H14O2
Molecular Weight: 166.22
Synonyms: 4,6-Decadiyn-1,10-diol;
Density: 1.07 g/cm3
Melting Point: 45.5 °C
Boiling Point: 364.8 °C at 760 mmHg
Flash Point: 181.3 °C
Appearance: gray purple crystals or powder
Risk Codes: 36/37/38
Safety: 26-36
PSA: 40.46000
LogP: 0.53820
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Specification

This chemical is called 4,6-Decadiyne-1,10-diol, and its systematic name is 4,6-Decadiyne-1,10-diol. With the molecular formula of C10H14O2, its molecular weight is 166.22. The CAS registry number of this chemical is 70283-74-8.

Other characteristics of the 4,6-Decadiyne-1,10-diol can be summarised as followings: (1)ACD/LogP: 1.42; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.42; (4)ACD/LogD (pH 7.4): 1.42; (5)ACD/BCF (pH 5.5): 7.05; (6)ACD/BCF (pH 7.4): 7.05; (7)ACD/KOC (pH 5.5): 140.88; (8)ACD/KOC (pH 7.4): 140.88; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 18.46 Å2; (13)Index of Refraction: 1.523; (14)Molar Refractivity: 47.45 cm3; (15)Molar Volume: 155.2 cm3; (16)Polarizability: 18.81×10-24cm3; (17)Surface Tension: 53.4 dyne/cm; (18)Density: 1.07 g/cm3; (19)Flash Point: 181.3 °C; (20)Enthalpy of Vaporization: 70.72 kJ/mol; (21)Boiling Point: 364.8 °C at 760 mmHg; (22)Vapour Pressure: 8.45E-07 mmHg at 25°C.

Production method of this chemical: The 4,6-Decadiyne-1,10-diol could be obtained by the reactant of 5-bromo-pent-4-yn-1-ol. This reaction needs the reagent of NH2OH, CuCl, n-propylamine, 1-octyne, and the solvent of aq. ethanol. The yield is 34 %. The other condition is ambient temperature.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure: 
1.SMILES: C(#CC#CCCCO)CCCO
2.InChI: InChI=1/C10H14O2/c11-9-7-5-3-1-2-4-6-8-10-12/h11-12H,5-10H2
3.InChIKey: BLPYWBZRUNDXJH-UHFFFAOYAW