1-Triacontanol supplier | CasNO.593-50-0

Name
1-Triacontanol
EINECS 209-794-5
CAS No. 593-50-0
Article Data50
CAS DataBase
Density 0.842 g/cm³
Solubility Soluble in diethyl ether, chloroform, dichloromethane. Insoluble in cold ethanol and benzene. Hardly soluble in water
Melting Point 86-87 °C(lit.)
Formula C₃₀H₆₂O
Boiling Point 443.338 °C at 760 mmHg
Molecular Weight 438.822
Flash Point 130.12 °C
Transport Information
Appearance slightly beige flaky crystals
Safety 24/25
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-Hydroxytriacontane;Melissyl alcohol;Miraculan;Myricyl alcohol;NSC 402492;NSC 405588;Nutron;Prosopol;Tomatex;Triacontyl alcohol;Ultria;Well-Bloom;n-Triacontanol;
PSA 20.23000
LogP 10.92140

Synthetic route

: 95855-73-5
12-Triaconten-1-ol

: 593-50-0
melissyl alcohol

Conditions

Conditions	Yield
With hydrogen; platinum(IV) oxide In methanol; toluene for 6h;	98%

: 629-83-4
methyl 1-triacontanoate

: 593-50-0
melissyl alcohol

Conditions

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

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

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

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

: C36H74OSi

: 593-50-0
melissyl alcohol

Conditions

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%

: 506-50-3
melissic acid

: 593-50-0
melissyl alcohol

Conditions

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

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

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

: 112-89-0
1-Bromooctadecane

: 593-50-0
melissyl alcohol

Conditions

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

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%

...Expand

: 112-95-8
icosane

: 629-97-0
n-docosane

: 630-01-3
n-hexacosane

: 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

Conditions	Yield
Stage #1: icosane; n-docosane; n-hexacosane; octadecane; tetracosane; octacosane; n-triacontane With oxygen at 30 - 50℃; under 1575.16 - 3675.37 Torr; for 3h; Stage #2: With sulfuric acid; water Product distribution / selectivity;	A 12.4% B 13.4% C 0.05% D 7.8% E 3.2% F 1% G 0.2%

...Expand

: 72443-19-7
15-triacontene

A: 593-50-0
melissyl alcohol

B: 638-68-6
n-triacontane

Conditions

Conditions	Yield
With tert.-butylhydroperoxide; zirconocene dichloride; sodium bis(2-methoxyethoxy)aluminium dihydride 1.) THF, 96 h, 40 deg C, 2.) ClCH2CH2Cl, 1 h, room temp.; Yield given. Multistep reaction;	A n/a B 10%

: 7505-12-6
Ethyl tricontanoate

: 593-50-0
melissyl alcohol

Conditions

Conditions	Yield
With sodium; butan-1-ol
With lithium aluminium tetrahydride In tetrahydrofuran Yield given;

: 61847-90-3
1-triacontyne

: 593-50-0
melissyl alcohol

Conditions

Conditions	Yield
With sodium hydroxide; 9-borabicyclo[3.3.1]nonane dimer; dihydrogen peroxide 1) THF, 10 h; Yield given. Multistep reaction;

: 41755-58-2
n-triacontyl acetate

: 593-50-0
melissyl alcohol

Conditions

Conditions	Yield
saponification;
With potassium hydroxide In ethanol Yield given;

: 22725-63-9
1-triacosanal

: 593-50-0
melissyl alcohol

Conditions

Conditions	Yield
With lithium aluminium tetrahydride In diethyl ether Yield given;

: 92206-73-0
1-octadecylmagnesium bromide

: 112999-97-0, 88517-92-4
2-[(12-bromododecyl)oxy]tetrahydro-2H-pyran

: 593-50-0
melissyl alcohol

Conditions

Conditions	Yield
With pyridinium p-toluenesulfonate; dilithium tetrachlorocuprate 1) 0 deg C 2) methanol, heating, 4 h; Yield given. Multistep reaction;

: 72443-19-7
15-triacontene

A: 593-50-0
melissyl alcohol

B: 13230-67-6
2-hydroxytricontane

Conditions

Conditions	Yield
With sodium hydroxide; borane; dihydrogen peroxide Yield given. Multistep reaction. Title compound not separated from byproducts;
With sodium hydroxide; borane; dihydrogen peroxide Yield given. Multistep reaction. Yields of byproduct given. Title compound not separated from byproducts;
With sodium hydroxide; borane; dihydrogen peroxide In tetrahydrofuran; diethylene glycol dimethyl ether Product distribution;	A 36 % Chromat. B 15 % Chromat.

: 145204-11-1
Triacontanyl dotriacontanoate

A: 593-50-0
melissyl alcohol

B: 3625-52-3
Lacceric acid

Conditions

Conditions	Yield
With potassium hydroxide In ethanol

: 120727-03-9
trans-triacontyl-4-hydroxycinnamate

A: 593-50-0
melissyl alcohol

B: 7400-08-0
p-Coumaric Acid

Conditions

Conditions	Yield
With potassium hydroxide In methanol; chloroform for 2h; Heating;	A 5 mg B 10 mg

: 111301-34-9
triacont-13-yn-1-ol

: 593-50-0
melissyl alcohol

Conditions

Conditions	Yield
With hydrogen; palladium on activated charcoal In tetrahydrofuran for 4h;

: 75501-00-7
Sodium; triacontanoate

: 593-50-0
melissyl alcohol

Conditions

Conditions	Yield
With lithium aluminium tetrahydride In tetrahydrofuran Heating; Yield given;

: 145315-03-3
13-(Z)-triacontene

: 593-50-0
melissyl alcohol

Conditions

Conditions	Yield
With sodium hydroxide; bis(cyclohexanyl)borane; dihydrogen peroxide 1a) THF, RT, 2 h, 1b) diglyme, 48 h, reflux; Yield given. Multistep reaction;

: 1-benzyloxytriacontane

: 593-50-0
melissyl alcohol

Conditions

Conditions	Yield
With trimethylsilyl iodide In chloroform at 25℃; for 1h; Yield given;

: 2-Triacontyloxy-tetrahydro-pyran

: 593-50-0
melissyl alcohol

Conditions

Conditions	Yield
With hydrogenchloride In ethyl acetate for 4h; Ambient temperature; Yield given;

: 6027-71-0
triacontyl hexadecanoate

A: 593-50-0
melissyl alcohol

B: 57-10-3
1-hexadecylcarboxylic acid

Conditions

Conditions	Yield
With potassium hydroxide In methanol Hydrolysis;

: 505-95-3
12-hydroxydodecanoic acid

: 593-50-0
melissyl alcohol

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1: 90 percent / 50percent HBr / acetic acid / 5 h / Heating 2: EtONa / ethanol / 0.5 h / Heating 3: Li2CuCl4 / tetrahydrofuran / 4 h / -10 - -5 °C 4: LiAlH4 / tetrahydrofuran / Heating View Scheme

: 73367-80-3
12-bromododecanoic acid

: 593-50-0
melissyl alcohol

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: EtONa / ethanol / 0.5 h / Heating 2: Li2CuCl4 / tetrahydrofuran / 4 h / -10 - -5 °C 3: LiAlH4 / tetrahydrofuran / Heating View Scheme

: 2009-59-8
methyl 11-formylundecanoate

: 593-50-0
melissyl alcohol

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: 1.) butyllithium / 1.) THF, hexane, -70 deg C, 15 min, 2.) a) -70 deg C, 5 h, b) from -70 deg to RT, 1.5 h, c) RT, 15 h 2: 90 percent / H2 / 2percent Pd-C / hexane / 120 h / Ambient temperature 3: 69 percent / lithium aluminum hydride / diethyl ether / 1.) reflux, 5 h, 2.) from 20 deg C to 25 deg C, 15 h View Scheme

: 4480-83-5
1,4-dioxane-2,6-dione

: 593-50-0
melissyl alcohol

: C34H66O5

Conditions

Conditions	Yield
With stannous octoate In chloroform Reflux; Inert atmosphere;	86.1%

: 593-50-0
melissyl alcohol

: 4209-22-7
n-Triacontyl bromide

Conditions

Conditions	Yield
With carbon tetrabromide; triphenylphosphine In acetonitrile for 2h; Heating;	85.5%
With bromine; triphenylphosphine In dichloromethane Ambient temperature; Yield given;

: 108-30-5
succinic acid anhydride

: 593-50-0
melissyl alcohol

: C34H66O4

Conditions

Conditions	Yield
With stannous octoate In chloroform Reflux; Inert atmosphere;	82.6%

: 110-99-6
2,2'-oxybis-acetic acid

: 593-50-0
melissyl alcohol

: C34H66O5

Conditions

Conditions	Yield
With dmap; 2-chloro-1-methyl-pyridinium iodide In N,N-dimethyl acetamide at 20℃; for 12h; Inert atmosphere;	72.6%

: 593-50-0
melissyl alcohol

: 7400-08-0
p-Coumaric Acid

: 120727-03-9
trans-triacontyl-4-hydroxycinnamate

Conditions

Conditions	Yield
With dicyclohexyl-carbodiimide In dichloromethane at 25℃; for 1.5h;	70%

: 593-50-0
melissyl alcohol

: 2094-72-6
1-Adamantanecarbonyl chloride

: 1353717-95-9
C41H76O2

Conditions

Conditions	Yield
With triethylamine In chloroform at 20℃; for 12h; Inert atmosphere;	44%

: 593-50-0
melissyl alcohol

: 62154-82-9
1-iodotriacontane

Conditions

Conditions	Yield
With phosphorus; water; iodine

: 593-50-0
melissyl alcohol

: 506-50-3
melissic acid

Conditions

Conditions	Yield
With chromium; acetic acid
With nitric acid

: 593-50-0
melissyl alcohol

: 108-24-7
acetic anhydride

: 41755-58-2
n-triacontyl acetate

Conditions

Conditions	Yield
With sodium acetate
In pyridine
With pyridine
With pyridine

: 593-50-0
melissyl alcohol

: 62016-82-4
1-chlorotriacontane

Conditions

Conditions	Yield
With phosphorus pentachloride

1-Triacontanol 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%.

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

Product Name

1-Triacontanol

Synthetic route

1-Triacontanol Specification

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