1-Triacontanol,1-acetate supplier

Name
TRIACONTYL ACETATE
EINECS
CAS No. 41755-58-2
Article Data14
CAS DataBase
Density 0.858 g/cm³
Solubility
Melting Point
Formula C₃₃H₆₆O₂
Boiling Point 436.4 °C at 760 mmHg
Molecular Weight 480.859
Flash Point 191.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-Triacontanol,acetate (6CI,7CI,9CI);Triacontyl acetate;Melissyl acetate;
PSA 26.30000
LogP 11.49220

1-Triacontanol,1-acetate Specification

The 1-Triacontanol, 1-acetate, with the CAS registry number of 41755-58-2, is also known as 1-Triacontanol, acetate. It belongs to the product categories of Alcohol Acetates; Esters; Saturated Fatty Acids and Derivatives. This chemical's molecular formula is C₃₃H₆₆O₂ and molecular weight is 494.88. What's more, its systematic name is called Triacontyl acetate. Besides, it should be stored at 2-8 °C.

Physical properties about 1-Triacontanol, 1-acetate are: (1)ACD/LogP: 15.59; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 15.59; (4)ACD/LogD (pH 7.4): 15.59; (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: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 30; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.455; (14)Molar Refractivity: 152.07 cm³; (15)Molar Volume: 560.2 cm³; (16)Surface Tension: 31.7 dyne/cm; (17)Density: 0.858 g/cm³; (18)Flash Point: 191.2 °C; (19)Enthalpy of Vaporization: 69.29 kJ/mol; (20)Boiling Point: 436.4 °C at 760 mmHg; (21)Vapour Pressure: 8.11E-08 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)C
(2) InChI: InChI=1/C32H64O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-34-32(2)33/h3-31H2,1-2H3
(3) InChIKey: OVQVOKLGCDAZBX-UHFFFAOYAG

Product Name

TRIACONTYL ACETATE

1-Triacontanol,1-acetate Specification

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