Octacosanoic acid supplier

Name
Octacosanoic acid
EINECS 208-041-8
CAS No. 506-48-9
Article Data16
CAS DataBase
Density 0.875 g/cm³
Solubility
Melting Point 91-93 °C(lit.)
Formula C₂₈H₅₆O₂
Boiling Point 430.5 °C at 760 mmHg
Molecular Weight 424.751
Flash Point 192.5 °C
Transport Information
Appearance white fine crystalline powder
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Montanic acid;n-Octacosanoic acid;
PSA 37.30000
LogP 10.23350

Synthetic route

: 10-octacosenoic acid

: 506-48-9
octacosanoic acid

Conditions

Conditions	Yield
With hydrogen; palladium on activated charcoal In methanol at 45℃; under 19001.3 Torr; for 6h;	96%

: 818-88-2
sebacic acid mono methyl ester

: 506-30-9
Arachidic acid

: 506-48-9
octacosanoic acid

Conditions

Conditions	Yield
With methanol; sodium Electrolysis.Behandlung des Reaktionsprodukts mit methanol.Natronlauge;

: 557-61-9
octacosyl alcohol

: 506-48-9
octacosanoic acid

Conditions

Conditions	Yield
With chromium; acetic acid
Jones Oxidation;

: 96374-71-9
10-oxo-octacosanoic acid

: 506-48-9
octacosanoic acid

Conditions

Conditions	Yield
With sodium hydroxide; hydrazine hydrate; ethylene glycol at 220℃;
With hydrogenchloride; amalgamated zinc; acetic acid

: 103165-11-3
5-oxo-octacosanoic acid methylamide

: 506-48-9
octacosanoic acid

Conditions

Conditions	Yield
With sodium; hydrazine hydrate; ethylene glycol at 200℃;

: 119696-25-2
13-Keto-octacosansaeure

: 506-48-9
octacosanoic acid

Conditions

Conditions	Yield
With sodium hydroxide; hydrazine hydrate In ethylene glycol

: 52363-35-6
Octacosanoic acid 1-acetoxymethyl-2-octacosanoyloxy-ethyl ester

: 506-48-9
octacosanoic acid

Conditions

Conditions	Yield
With potassium hydroxide In ethanol

: tetratriacontanyl octacosanoate

A: 28484-70-0
geddic alcohol

B: 506-48-9
octacosanoic acid

Conditions

Conditions	Yield
With potassium hydroxide In ethanol for 6h; Heating;

heptacosane-dicarboxylic acid-(1.1): heptacosane-dicarboxylic acid-(1.1)

: 506-48-9
octacosanoic acid

Conditions

Conditions	Yield
at 140 - 150℃; im Hochvakuum;

: 25077-25-2
N-methyladipinimide

: 506-48-9
octacosanoic acid

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: diethyl ether / beim Erhitzen zuletzt bis auf 120grad 2: hydrazine hydrate; ethylene glycol; sodium / 200 °C View Scheme

: 629-93-6
n-iodooctadecane

: 506-48-9
octacosanoic acid

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: zinc-copper; ethyl acetate; toluene 2: methanol; concentrated aqueous KOH-solution 3: acetic acid; amalgamated zinc; concentrated aqueous hydrochloric acid View Scheme

: 14065-32-8
methyl 10-chloro-10-oxodecanoate

: 506-48-9
octacosanoic acid

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: zinc-copper; ethyl acetate; toluene 2: methanol; concentrated aqueous KOH-solution 3: acetic acid; amalgamated zinc; concentrated aqueous hydrochloric acid View Scheme

: 103165-04-4
10-oxo-octacosanoic acid methyl ester

: 506-48-9
octacosanoic acid

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: methanol; concentrated aqueous KOH-solution 2: acetic acid; amalgamated zinc; concentrated aqueous hydrochloric acid View Scheme

: 116080-57-0
10-oxo-octacosanoic acid ethyl ester

: 506-48-9
octacosanoic acid

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: ethanolic KOH-solution 2: hydrazine hydrate; sodium hydroxide; ethylene glycol / 220 °C View Scheme

: Hexadecanoyl chloride; hydrochloride

: 506-48-9
octacosanoic acid

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: (i) NaOEt, benzene, (ii) /BRN= 5795609/, (iii) H2, Pd-C, Pd-SrCO3, AcOEt, EtOH 2: N2H4*H2O, NaOH / ethane-1,2-diol View Scheme

: 2-Phenethyloxycarbonyl-tridecanedioic acid diphenethyl ester

: 506-48-9
octacosanoic acid

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: (i) NaOEt, benzene, (ii) /BRN= 5795609/, (iii) H2, Pd-C, Pd-SrCO3, AcOEt, EtOH 2: N2H4*H2O, NaOH / ethane-1,2-diol View Scheme

: 1611-56-9
1-Bromo-11-hydroxyundecane

: 506-48-9
octacosanoic acid

Conditions

Conditions	Yield
Multi-step reaction with 8 steps 1: triethylamine / dichloromethane 2: n-butyllithium; N,N,N,N,N,N-hexamethylphosphoric triamide / tetrahydrofuran 3: hydrogen; palladium 10% on activated carbon / ethyl acetate 4: pyridinium chlorochromate / dichloromethane 5: sodium hexamethyldisilazane / tetrahydrofuran 6: tetrabutyl ammonium fluoride / tetrahydrofuran 7: hydrogen; palladium 10% on activated carbon / ethyl acetate View Scheme

Yield

Multi-step reaction with 8 steps
1: triethylamine / dichloromethane
2: n-butyllithium; N,N,N,N,N,N-hexamethylphosphoric triamide / tetrahydrofuran
3: hydrogen; palladium 10% on activated carbon / ethyl acetate
4: pyridinium chlorochromate / dichloromethane
5: sodium hexamethyldisilazane / tetrahydrofuran
6: tetrabutyl ammonium fluoride / tetrahydrofuran
7: hydrogen; palladium 10% on activated carbon / ethyl acetate
View Scheme

: 172995-51-6
(11-bromoundecyloxy)(tert-butyl)diphenylsilane

: 506-48-9
octacosanoic acid

Conditions

Conditions	Yield
Multi-step reaction with 7 steps 1: n-butyllithium; N,N,N,N,N,N-hexamethylphosphoric triamide / tetrahydrofuran 2: hydrogen; palladium 10% on activated carbon / ethyl acetate 3: pyridinium chlorochromate / dichloromethane 4: sodium hexamethyldisilazane / tetrahydrofuran 5: tetrabutyl ammonium fluoride / tetrahydrofuran 6: hydrogen; palladium 10% on activated carbon / ethyl acetate View Scheme

: 1538660-98-8
C30H44O2Si

: 506-48-9
octacosanoic acid

Conditions

Conditions	Yield
Multi-step reaction with 6 steps 1: hydrogen; palladium 10% on activated carbon / ethyl acetate 2: pyridinium chlorochromate / dichloromethane 3: sodium hexamethyldisilazane / tetrahydrofuran 4: tetrabutyl ammonium fluoride / tetrahydrofuran 5: hydrogen; palladium 10% on activated carbon / ethyl acetate View Scheme

: 236754-35-1
C30H48O2Si

: 506-48-9
octacosanoic acid

Conditions

Conditions	Yield
Multi-step reaction with 5 steps 1: pyridinium chlorochromate / dichloromethane 2: sodium hexamethyldisilazane / tetrahydrofuran 3: tetrabutyl ammonium fluoride / tetrahydrofuran 4: hydrogen; palladium 10% on activated carbon / ethyl acetate View Scheme

: 1538660-99-9
C30H46O2Si

: 506-48-9
octacosanoic acid

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1: sodium hexamethyldisilazane / tetrahydrofuran 2: tetrabutyl ammonium fluoride / tetrahydrofuran 3: hydrogen; palladium 10% on activated carbon / ethyl acetate View Scheme

: 1538661-01-6
C44H74OSi

: 506-48-9
octacosanoic acid

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: tetrabutyl ammonium fluoride / tetrahydrofuran 2: hydrogen; palladium 10% on activated carbon / ethyl acetate View Scheme

: 1538661-03-8
C28H56O

: 506-48-9
octacosanoic acid

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: hydrogen; palladium 10% on activated carbon / ethyl acetate View Scheme

: 506-48-9
octacosanoic acid

: 140626-81-9
Octacosansaeureamid

Conditions

Conditions	Yield
With ammonia; zircornium(IV) n-propoxide at 165℃; for 7h; Reagent/catalyst;	97.7%

: 506-48-9
octacosanoic acid

: 109-55-7
1-amino-3-(dimethylamino)propane

: 717883-63-1
C33H68N2O

Conditions

Conditions	Yield
With aluminum oxide; sodium fluoride at 165℃; for 12h; Inert atmosphere;	96%

: 2033-24-1
cycl-isopropylidene malonate

: 506-48-9
octacosanoic acid

: 5-octacosanoyl Meldrum’s acid

Conditions

Conditions	Yield
Stage #1: octacosanoic acid With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane at 20℃; for 0.5h; Steglich Esterification; Stage #2: cycl-isopropylidene malonate In dichloromethane Steglich Esterification;	91%

: 775341-81-6
C113H168N2O16S

: 506-48-9
octacosanoic acid

: C141H222N2O17S

Conditions

Conditions	Yield
With dmap; dicyclohexyl-carbodiimide In dichloromethane for 26h;	72%

: 958261-53-5
C117H176N2O16S

: 506-48-9
octacosanoic acid

: 548486-17-5
phenyl 4-O-benzyl-6-O-{4,6-O-benzylidene-3-O-[(R)-3-benzyloxy-hexadecanoyl]-2-deoxy-2-[(R)-3-octacosanoyloxy-hexadecan]amido-β-D-glucopyranosyl}-2-[(R)-3-benzyloxy-hexadecan]amido-3-O-[(R)-3-benzyloxy-hexadecanoyl]-2-deoxy-1-thio-α-D-glucopyranoside

Conditions

Conditions	Yield
With dmap; dicyclohexyl-carbodiimide In dichloromethane at 20℃;	65%

: 67-56-1
methanol

: 506-48-9
octacosanoic acid

: 55682-92-3
methyl octacosanoate

Conditions

Conditions	Yield
With sulfuric acid
With acetyl chloride at 50℃; Reagent/catalyst; Temperature;

: 506-48-9
octacosanoic acid

: 59639-14-4
octacosanoic acid-anhydride

Conditions

Conditions	Yield
With acetic anhydride

: 186581-53-3, 908094-01-9
diazomethane

: 506-48-9
octacosanoic acid

: 55682-92-3
methyl octacosanoate

Conditions

Conditions	Yield
In diethyl ether; chloroform

: 506-48-9
octacosanoic acid

: 99-73-0
para-bromophenacyl bromide

: 138621-89-3
Montansaeure-p-bromphenacylester

Conditions

Conditions	Yield
With sodium hydroxide In ethanol

: 506-48-9
octacosanoic acid

: 115863-79-1
octacosanoyl chloride

Conditions

Conditions	Yield
With thionyl chloride; N,N-dimethyl-formamide In dichloromethane at 40℃; for 8h;
With thionyl chloride for 2h; Heating;
With thionyl chloride; N,N-dimethyl-formamide In toluene at 40℃; for 1.5h;
With oxalyl dichloride In chloroform at 45 - 60℃; for 2h;

: 506-48-9
octacosanoic acid

: 745041-72-9
(2S,3S,4R)-2-amino-3,4-O-isopropylidene-1-O-(2,3,4,6-tetra-O-benzyl-α-D-galactopyranosyl)-1,3,4-nonanetriol

: 956102-46-8
C74H113NO9

Conditions

Conditions	Yield
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine In dichloromethane; N,N-dimethyl-formamide at 40℃;
With 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine In dichloromethane; N,N-dimethyl-formamide at 40℃; Coupling reagent;

: 506-48-9
octacosanoic acid

: 548486-14-2
(R)-3-octacosanoyloxy-hexadecanoic acid

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: thionyl chloride / 2 h / Heating 2: 97 percent / pyridine; DMAP / 16 h 3: 97 percent / Zn; AcOH / 2 h / 60 °C View Scheme

: 506-48-9
octacosanoic acid

: 548486-22-2
2-(4-bromophenyl)-2-oxoethyl (R)-3-octacosanoyloxyhexadecanoate

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: thionyl chloride / 2 h / Heating 2: 97 percent / pyridine; DMAP / 16 h View Scheme

: 506-48-9
octacosanoic acid

: 548486-15-3
phenyl 2-azido-4-O-benzyl-6-O-{4,6-O-benzylidene-2-deoxy-2-[(R)-3-octacosanoyloxy-hexadecan]amido-β-D-glucopyranosyl}-2-deoxy-1-thio-α-D-glucopyranoside

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1: thionyl chloride / 2 h / Heating 2: 97 percent / pyridine; DMAP / 16 h 3: 97 percent / Zn; AcOH / 2 h / 60 °C 4: 93 percent / DCC / CH2Cl2 / 16 h / 20 °C View Scheme

: 506-48-9
octacosanoic acid

: 548486-25-5
phenyl 2-amino-4-O-benzyl-6-O-{4,6-O-benzylidene-2-deoxy-2-[(R)-3-octacosanoyloxy-hexadecan]amido-β-D-glucopyranosyl}-2-deoxy-1-thio-α-D-glucopyranoside

Conditions

Conditions	Yield
Multi-step reaction with 5 steps 1: thionyl chloride / 2 h / Heating 2: 97 percent / pyridine; DMAP / 16 h 3: 97 percent / Zn; AcOH / 2 h / 60 °C 4: 93 percent / DCC / CH2Cl2 / 16 h / 20 °C 5: 94 percent / 1,3-propanedithiol; pyridine / H2O / 16 h / 20 °C View Scheme

: 506-48-9
octacosanoic acid

: Nonacos-1-en-1-one

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: SOCl2, DMF / CH2Cl2 / 8 h / 40 °C 2: diethyl ether / 2 h / 0 °C 3: CHCl3 / 14.5 °C / Irradiation View Scheme

: 506-48-9
octacosanoic acid

: 90670-24-9
1-diazo-2-oxononacosane

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: SOCl2, DMF / CH2Cl2 / 8 h / 40 °C 2: diethyl ether / 2 h / 0 °C View Scheme

: 506-48-9
octacosanoic acid

: 3-Heptacosyl-4-octacos-(E)-ylidene-oxetan-2-one

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: SOCl2, DMF / CH2Cl2 / 8 h / 40 °C 2: diethyl ether / 2 h / 0 °C 3: CHCl3 / 14.5 °C / Irradiation View Scheme

Octacosanoic acid Specification

The Octacosanoic acid, with the CAS registry number 506-48-9, is also known as n-Octacosanoic acid. Its EINECS number is 208-041-8. It belongs to the product categories of Alkylcarboxylic Acids; Monofunctional & alpha,omega-Bifunctional Alkanes; Monofunctional Alkanes. This chemical's molecular formula is C₂₈H₅₆O₂ and molecular weight is 424.74. Complied with the regulations of use and storage, it does not decompose. It should be sealed and stored in a cool and dry place and be protected from oxidizes. It can be produced by the oxidation of octacosanol and used in organic synthesis.

Physical properties of Octacosanoic acid are: (1)ACD/LogP: 13.53; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 12.73; (4)ACD/LogD (pH 7.4): 10.94; (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): 1400535.5; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 26; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.461; (14)Molar Refractivity: 133.33 cm³; (15)Molar Volume: 485.3 cm³; (16)Polarizability: 52.85×10^-24 cm³; (17)Surface Tension: 33.5 dyne/cm; (18)Density: 0.875 g/cm³; (19)Flash Point: 192.5 °C; (20)Enthalpy of Vaporization: 72.31 kJ/mol; (21)Boiling Point: 430.5 °C at 760 mmHg; (22)Vapour Pressure: 3.55E-08 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O
(2)InChI: InChI=1S/C28H56O2/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/h2-27H2,1H3,(H,29,30)
(3)InChIKey: UTOPWMOLSKOLTQ-UHFFFAOYSA-N

Product Name

Octacosanoic acid

Synthetic route

Octacosanoic acid Specification

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