Name: Triacontanol
SKU: 28351-05-5

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Basic Information

Molecular Structure:
CAS No.:	28351-05-5
Name:	Triacontanol

Formula:	C₃₀H₆₂O
Molecular Weight:	438.82
Synonyms:	Triacontan-1-ol;Melissyl alcohol;1-Triacontanol;
EINECS:	209-794-5
Density:	0.841 g/cm³
Melting Point:	81-82 °C
Boiling Point:	443.3 °C at 760 mmHg
Flash Point:	130.1 °C
PSA:	20.23000
LogP:	10.92140

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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