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| CAS No.: | 593-50-0 |
|---|---|
| Name: | 1-Triacontanol |
| Article Data: | 50 |
| Molecular Structure: | |
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| Formula: | C30H62O |
| Molecular Weight: | 438.822 |
| Synonyms: | 1-Hydroxytriacontane;Melissyl alcohol;Miraculan;Myricyl alcohol;NSC 402492;NSC 405588;Nutron;Prosopol;Tomatex;Triacontyl alcohol;Ultria;Well-Bloom;n-Triacontanol; |
| EINECS: | 209-794-5 |
| Density: | 0.842 g/cm3 |
| Melting Point: | 86-87 °C(lit.) |
| Boiling Point: | 443.338 °C at 760 mmHg |
| Flash Point: | 130.12 °C |
| Solubility: | Soluble in diethyl ether, chloroform, dichloromethane. Insoluble in cold ethanol and benzene. Hardly soluble in water |
| Appearance: | slightly beige flaky crystals |
| Safety: | 24/25 |
| PSA: | 20.23000 |
| LogP: | 10.92140 |
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- 95855-73-5
12-Triaconten-1-ol
- 593-50-0
melissyl alcohol
| Conditions | Yield |
|---|---|
| With hydrogen; platinum(IV) oxide In methanol; toluene for 6h; | 98% |
| Conditions | Yield |
|---|---|
| With lithium aluminium tetrahydride In tetrahydrofuran 1.) -10 deg C -> room temperature, 1 h, 2.) room temperature, 4 h; | 96% |
| With lithium aluminium tetrahydride In tetrahydrofuran 1.) -10 deg C to room temperature, 1 h, 2.) room temperature, 4 h; | 95% |
| With lithium aluminium tetrahydride In tetrahydrofuran | 95% |
- 79162-67-7
triacont-11-yn-1-ol
- 593-50-0
melissyl alcohol
| Conditions | Yield |
|---|---|
| With hydrogen; palladium on activated charcoal In tetrahydrofuran for 4h; | 95% |
- 82672-50-2
10-triacontyn-1-ol
- 593-50-0
melissyl alcohol
| Conditions | Yield |
|---|---|
| With hydrogen; platinum(IV) oxide In ethanol for 2h; Heating; | 90% |
- 131302-56-2
(Z)-12-Triacontan-1-ol
- 593-50-0
melissyl alcohol
| Conditions | Yield |
|---|---|
| With hydrogen; palladium on activated charcoal In ethyl acetate for 8h; Ambient temperature; | 90% |
- 593-50-0
melissyl alcohol
| Conditions | Yield |
|---|---|
| Stage #1: C36H74OSi With palladium 10% on activated carbon; hydrogen In methanol at 20℃; Stage #2: With hydrogenchloride In water for 0.333333h; Solvent; Reagent/catalyst; Reflux; | 90% |
| Conditions | Yield |
|---|---|
| With hydrogenchloride; thionyl chloride In diethyl ether; ethanol; chloroform; ethyl acetate; acetone; benzene | 86% |
| Multi-step reaction with 2 steps 1: H2SO4 2: sodium; butyl alcohol View Scheme |
- 1001561-47-2
(9E,21E)-Triaconta-9,21-dienoic acid methyl ester
- 593-50-0
melissyl alcohol
| Conditions | Yield |
|---|---|
| With hydrogen; Atkins' catalysator In diethylene glycol dimethyl ether at 250℃; under 152000 Torr; | 80% |
| Multi-step reaction with 2 steps 1: H2 / PtO / 760 Torr 2: LiAlH4 / tetrahydrofuran / 3 h / Heating View Scheme |
| Conditions | Yield |
|---|---|
| dilithium tetrachlorocuprate In tetrahydrofuran at -5 - 0℃; for 4h; | 68% |
- 112-95-8
icosane
- 629-97-0
n-docosane
- 630-01-3
n-hexacosane
- 629-50-5
Tridecane
- 593-45-3
octadecane
- 646-31-1
tetracosane
- 630-02-4
octacosane
- 638-68-6
n-triacontane
A
- 112-92-5
1-octadecanol
B
- 629-96-9
n-eicosanol
C
- 593-50-0
melissyl alcohol
D
- 661-19-8
1-docosanol
E
- 506-51-4
tetracosyl alcohol
F
- 506-52-5
hexacosyl alcohol
G
- 557-61-9
octacosyl alcohol
| Conditions | Yield |
|---|---|
| Stage #1: icosane; n-docosane; n-hexacosane; octadecane; tetracosane; octacosane; n-triacontane With oxygen at 30 - 50℃; under 1575.16 Torr; for 0.5h; Stage #2: Tridecane With titanium(IV) isopropylate at 30 - 50℃; under 1575.16 - 3750.38 Torr; for 6.86667h; Stage #3: With sulfuric acid; water at 80℃; Product distribution / selectivity; | A 17.66% B 19.46% C 0.1% D 13.62% E 6.93% F 2.04% G 0.48% |
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Specification
The 1-Triacontanol, with the CAS registry number 593-50-0, is also known as Melissyl alcohol. It belongs to the product categories of Miscellaneous Natural Products; Plant Growth Regulator; 1-Alkanols; Biochemistry; Higher Fatty Acids & Higher Alcohols; Monofunctional & alpha, omega-Bifunctional Alkanes; Monofunctional Alkanes; Saturated Higher Alcohols; Agro-Products; Aliphatics. Its EINECS number is 209-794-5. This chemical's molecular formula is C30H62O and molecular weight is 438.82. What's more, its systematic name is 1-Triacontanol. This chemical should be sealed in glass bottles and stored in a coo and dry place. When using it, you must avoid contact with skin and eyes. It is found in plant cuticle waxes and in beeswax. This chemical is a growth stimulant for many plants, most notably roses, in which it rapidly increases the number of basal breaks.
Physical properties of 1-Triacontanol are: (1)ACD/LogP: 14.085 # of Rule of 5 Violations: 1; (2)ACD/LogD (pH 5.5): 14.09; (3)ACD/LogD (pH 7.4): 14.09; (4)ACD/BCF (pH 5.5): 1000000.00; (5)ACD/BCF (pH 7.4): 1000000.00; (6)ACD/KOC (pH 5.5): 10000000.00; (7)ACD/KOC (pH 7.4): 10000000.00; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 29; (11)Polar Surface Area: 20.23 Å2; (12)Index of Refraction: 1.459; (13)Molar Refractivity: 142.57 cm3; (14)Molar Volume: 521.244 cm3; (15)Polarizability: 56.519×10-24cm3; (16)Surface Tension: 32.3 dyne/cm; (17)Density: 0.842 g/cm3; (18)Flash Point: 130.12 °C; (19)Enthalpy of Vaporization: 80.895 kJ/mol; (20)Boiling Point: 443.338 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25°C.
Preparation: this chemical can be prepared by 10-triacontyn-1-ol by heating. This reaction will need reagent hydrogen and solvent ethanol with the reaction time of 2 hours. This reaction will also need catalyst PtO2. The yield is about 90%.
Uses of 1-Triacontanol: it can be used to produce 1-bromo-triacontane by heating. It will need reagents CBr4, Ph3P and solvent acetonitrile with the reaction time of 2 hours. The yield is about 85.5%.
You can still convert the following datas into molecular structure:
(1)SMILES: OCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
(2)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
(3)Std. InChIKey: REZQBEBOWJAQKS-UHFFFAOYSA-N