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Triacontanol

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Name

Triacontanol

EINECS 209-794-5
CAS No. 28351-05-5 Density 0.841 g/cm3
PSA 20.23000 LogP 10.92140
Solubility N/A Melting Point 81-82 °C
Formula C30H62O Boiling Point 443.3 °C at 760 mmHg
Molecular Weight 438.82 Flash Point 130.1 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 28351-05-5 (Triacontanol) Hazard Symbols N/A
Synonyms

Triacontan-1-ol;Melissyl alcohol;1-Triacontanol;

 

Triacontanol Specification

The CAS register number of Triacontanol is 28351-05-5. It also can be called as 1-Triacontanol and the systematic name about this chemical is triacontan-1-ol. The molecular formula about this chemical is C30H62O and molecular weight is 438.82. This chemical is a growth stimulant for many plants, most notably roses, in which it rapidly increases the number of basal breaks.

Physical properties about Triacontanol are: (1)ACD/LogP: 14.69; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 14.69; (4)ACD/LogD (pH 7.4): 14.69; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 10000000; (8)ACD/KOC (pH 7.4): 10000000; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 29; (12)Polar Surface Area: 9.23Å2; (13)Index of Refraction: 1.459; (14)Molar Refractivity: 142.56 cm3; (15)Molar Volume: 521.2 cm3; (16)Polarizability: 56.51x10-24cm3; (17)Surface Tension: 32.2 dyne/cm; (18)Enthalpy of Vaporization: 80.9 kJ/mol; (19)Boiling Point: 443.3 °C at 760 mmHg; (20)Vapour Pressure: 1.01E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: OCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
(2)InChI: InChI=1/C30H62O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31/h31H,2-30H2,1H3
(3)InChIKey: REZQBEBOWJAQKS-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C30H62O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31/h31H,2-30H2,1H3
(5)Std. InChIKey: REZQBEBOWJAQKS-UHFFFAOYSA-N

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