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593-50-0

Basic Information
CAS No.: 593-50-0
Name: 1-Triacontanol
Article Data: 50
Cas Database
Molecular Structure:
Molecular Structure of 593-50-0 (1-Triacontanol)
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
Hazard Symbols: N/A
Risk Codes: N/A
Safety: 24/25
Transport Information: N/A
PSA: 20.23000
LogP: 10.92140
Synthetic route
95855-73-5

12-Triaconten-1-ol

593-50-0

melissyl alcohol

Conditions
ConditionsYield
With hydrogen; platinum(IV) oxide In methanol; toluene for 6h;98%
629-83-4

methyl 1-triacontanoate

593-50-0

melissyl alcohol

Conditions
ConditionsYield
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 tetrahydrofuran95%
79162-67-7

triacont-11-yn-1-ol

593-50-0

melissyl alcohol

Conditions
ConditionsYield
With hydrogen; palladium on activated charcoal In tetrahydrofuran for 4h;95%
82672-50-2

10-triacontyn-1-ol

593-50-0

melissyl alcohol

Conditions
ConditionsYield
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
ConditionsYield
With hydrogen; palladium on activated charcoal In ethyl acetate for 8h; Ambient temperature;90%

C36H74OSi

593-50-0

melissyl alcohol

Conditions
ConditionsYield
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%
506-50-3

melissic acid

593-50-0

melissyl alcohol

Conditions
ConditionsYield
With hydrogenchloride; thionyl chloride In diethyl ether; ethanol; chloroform; ethyl acetate; acetone; benzene86%
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
ConditionsYield
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

C12H24ClMgO(1-)*Cl(1-)*Mg(2+)

112-89-0

1-Bromooctadecane

593-50-0

melissyl alcohol

Conditions
ConditionsYield
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
ConditionsYield
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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    Name:1-Triacontanol The alias:myricyl;NSC402492;NSC405588;1-Triacontanol-90%min;WELL-BLOOM; CAS NO:593-50-0 EINECS NO:209-794-5 Molecular formula:C30H62O Molecular weight: 438.81 Product Quality 12 years of chemical raw materials Mature o

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    Triacontanol Product Name: Triacontanol Synonyms: -myricyl; N-TRIACONTANOL; MYRICYLALCOHOL; MIRACULAN; triacon-10; TRIACONTANOL, 1-; triacontan-1-ol; 1-Triacontanol; Melissyl alcohol

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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%.

1-Triacontanol can be prepared by 10-triacontyn-1-ol by heating

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%.

1-Triacontanol can be used to produce 1-bromo-triacontane by heating

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